Fluorobenzenes

Organic compounds considered aryl halides that consist of a phenyl group with a fluorine atom substitution in the following structure: C₆H₅F.

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2,4-Difluorobenzonitrile, 98%

CAS: 3939-09-1 Molecular Formula: C7H3F2N Molecular Weight (g/mol): 139.11 MDL Number: MFCD00009826 InChI Key: LJFDXXUKKMEQKE-UHFFFAOYSA-N Synonym: 2,4-difluorobenzenecarbonitrile,benzonitrile, 2,4-difluoro,2,4-difluoro-benzonitrile,pubchem1563,acmc-1bohp,2.4-difluoro benzonitrile,2,4-difluoro benzonitrile,ksc493m5d,2,4-difluorobenzonitrile,ljfdxxukkmeqke-uhfffaoysa PubChem CID: 77545 IUPAC Name: 2,4-difluorobenzonitrile SMILES: C1=CC(=C(C=C1F)F)C#N

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PubChem CID	77545
CAS	3939-09-1
Molecular Weight (g/mol)	139.11
MDL Number	MFCD00009826
SMILES	C1=CC(=C(C=C1F)F)C#N
Synonym	2,4-difluorobenzenecarbonitrile,benzonitrile, 2,4-difluoro,2,4-difluoro-benzonitrile,pubchem1563,acmc-1bohp,2.4-difluoro benzonitrile,2,4-difluoro benzonitrile,ksc493m5d,2,4-difluorobenzonitrile,ljfdxxukkmeqke-uhfffaoysa
IUPAC Name	2,4-difluorobenzonitrile
InChI Key	LJFDXXUKKMEQKE-UHFFFAOYSA-N
Molecular Formula	C7H3F2N

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2-Fluoromesitylene, 98%

CAS: 392-69-8 Molecular Formula: C9H11F Molecular Weight (g/mol): 138.19 MDL Number: MFCD00052365 InChI Key: ZLGPNBBJPOBSLY-UHFFFAOYSA-N Synonym: fluoromesitylene,mesityl fluoride,2-fluoromesitylene,2,4,6-trimethylfluorobenzene,benzene, 2-fluoro-1,3,5-trimethyl,1-fluoro-2,4,6-trimethylbenzene,2-fluoro-1,3,5-trimethyl-benzene,fluormesitylen,mesitylfluoride,pubchem16939 PubChem CID: 136234 IUPAC Name: 2-fluoro-1,3,5-trimethylbenzene SMILES: CC1=CC(C)=C(F)C(C)=C1

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PubChem CID	136234
CAS	392-69-8
Molecular Weight (g/mol)	138.19
MDL Number	MFCD00052365
SMILES	CC1=CC(C)=C(F)C(C)=C1
Synonym	fluoromesitylene,mesityl fluoride,2-fluoromesitylene,2,4,6-trimethylfluorobenzene,benzene, 2-fluoro-1,3,5-trimethyl,1-fluoro-2,4,6-trimethylbenzene,2-fluoro-1,3,5-trimethyl-benzene,fluormesitylen,mesitylfluoride,pubchem16939
IUPAC Name	2-fluoro-1,3,5-trimethylbenzene
InChI Key	ZLGPNBBJPOBSLY-UHFFFAOYSA-N
Molecular Formula	C9H11F

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1-Bromo-4-chloro-2-fluorobenzene, 98%

CAS: 1996-29-8 Molecular Formula: C6H3BrClF Molecular Weight (g/mol): 209.44 MDL Number: MFCD00079708 InChI Key: FPNVMCMDWZNTEU-UHFFFAOYSA-N Synonym: 4-chloro-2-fluorobromobenzene,2-fluoro-4-chlorobromobenzene,2-bromo-5-chlorofluorobenzene,1-bromo-4-chloro-2-fluoro-benzene,1-bromo-2-fluoro-4-chlorobenzene,2-bromo-5-chloro-1-fluorobenzene,benzene, 1-bromo-4-chloro-2-fluoro,pubchem3209,acmc-1bovk,2-bromo-5-chlorofluorbenzene PubChem CID: 137275 IUPAC Name: 1-bromo-4-chloro-2-fluorobenzene SMILES: FC1=CC(Cl)=CC=C1Br

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Specifications

PubChem CID	137275
CAS	1996-29-8
Molecular Weight (g/mol)	209.44
MDL Number	MFCD00079708
SMILES	FC1=CC(Cl)=CC=C1Br
Synonym	4-chloro-2-fluorobromobenzene,2-fluoro-4-chlorobromobenzene,2-bromo-5-chlorofluorobenzene,1-bromo-4-chloro-2-fluoro-benzene,1-bromo-2-fluoro-4-chlorobenzene,2-bromo-5-chloro-1-fluorobenzene,benzene, 1-bromo-4-chloro-2-fluoro,pubchem3209,acmc-1bovk,2-bromo-5-chlorofluorbenzene
IUPAC Name	1-bromo-4-chloro-2-fluorobenzene
InChI Key	FPNVMCMDWZNTEU-UHFFFAOYSA-N
Molecular Formula	C6H3BrClF

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Dimethyl (4-fluorobenzyl)malonate, 97%

CAS: 252938-22-0 Molecular Formula: C12H13FO4 Molecular Weight (g/mol): 240.23 MDL Number: MFCD01934558 InChI Key: WDFUURBBGZTSIA-UHFFFAOYSA-N Synonym: dimethyl 4-fluorobenzyl malonate,dimethyl 2-4-fluorobenzyl malonate,1,3-dimethyl 2-4-fluorophenyl methyl propanedioate,acmc-1cpd2,dimethyl 4-fluorobenzylmalonate,2-4-fluorobenzyl-malonic acid dimethyl ester,dimethyl 2-4-fluorophenyl methyl propanedioate,dimethyl 2-4-fluorophenyl methyl propane-1,3-dioate PubChem CID: 2781576 SMILES: COC(=O)C(CC1=CC=C(F)C=C1)C(=O)OC

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PubChem CID	2781576
CAS	252938-22-0
Molecular Weight (g/mol)	240.23
MDL Number	MFCD01934558
SMILES	COC(=O)C(CC1=CC=C(F)C=C1)C(=O)OC
Synonym	dimethyl 4-fluorobenzyl malonate,dimethyl 2-4-fluorobenzyl malonate,1,3-dimethyl 2-4-fluorophenyl methyl propanedioate,acmc-1cpd2,dimethyl 4-fluorobenzylmalonate,2-4-fluorobenzyl-malonic acid dimethyl ester,dimethyl 2-4-fluorophenyl methyl propanedioate,dimethyl 2-4-fluorophenyl methyl propane-1,3-dioate
InChI Key	WDFUURBBGZTSIA-UHFFFAOYSA-N
Molecular Formula	C12H13FO4

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2,4-Dibromo-1-fluorobenzene, 98%, Thermo Scientific™

CAS: 1435-53-6 Molecular Formula: C6H3Br2F Molecular Weight (g/mol): 253.90 MDL Number: MFCD00000283 InChI Key: MKHDDTWHDFVYDQ-UHFFFAOYSA-N Synonym: 2,4-dibromofluorobenzene,1,3-dibromo-4-fluorobenzene,1-fluoro-2,4-dibromobenzene,benzene, 2,4-dibromo-1-fluoro,pubchem3446,acmc-209cqz,1,3-dibromo-5-fluoro,intermediates-zcf02097,ksc494g9j PubChem CID: 15034 IUPAC Name: 2,4-dibromo-1-fluorobenzene SMILES: FC1=CC=C(Br)C=C1Br

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Specifications

PubChem CID	15034
CAS	1435-53-6
Molecular Weight (g/mol)	253.90
MDL Number	MFCD00000283
SMILES	FC1=CC=C(Br)C=C1Br
Synonym	2,4-dibromofluorobenzene,1,3-dibromo-4-fluorobenzene,1-fluoro-2,4-dibromobenzene,benzene, 2,4-dibromo-1-fluoro,pubchem3446,acmc-209cqz,1,3-dibromo-5-fluoro,intermediates-zcf02097,ksc494g9j
IUPAC Name	2,4-dibromo-1-fluorobenzene
InChI Key	MKHDDTWHDFVYDQ-UHFFFAOYSA-N
Molecular Formula	C6H3Br2F

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alpha-Bromo-4-fluorophenylacetic acid, 96%

CAS: 29270-33-5 Molecular Formula: C8H6BrFO2 Molecular Weight (g/mol): 233.036 MDL Number: MFCD08276759 InChI Key: ATILMAUMZRFROS-UHFFFAOYSA-N Synonym: 2-bromo-2-4-fluorophenyl acetic acid,alpha-bromo-4-fluorophenylacetic acid,bromo 4-fluorophenyl acetic acid,alpha-bromo-4-fluorophenyl acetic acid,2-bromanyl-2-4-fluorophenyl ethanoic acid,alpha-bromo-4-fluorophenylacetic acid 9 PubChem CID: 16217752 IUPAC Name: 2-bromo-2-(4-fluorophenyl)acetic acid SMILES: C1=CC(=CC=C1C(C(=O)O)Br)F

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PubChem CID	16217752
CAS	29270-33-5
Molecular Weight (g/mol)	233.036
MDL Number	MFCD08276759
SMILES	C1=CC(=CC=C1C(C(=O)O)Br)F
Synonym	2-bromo-2-4-fluorophenyl acetic acid,alpha-bromo-4-fluorophenylacetic acid,bromo 4-fluorophenyl acetic acid,alpha-bromo-4-fluorophenyl acetic acid,2-bromanyl-2-4-fluorophenyl ethanoic acid,alpha-bromo-4-fluorophenylacetic acid 9
IUPAC Name	2-bromo-2-(4-fluorophenyl)acetic acid
InChI Key	ATILMAUMZRFROS-UHFFFAOYSA-N
Molecular Formula	C8H6BrFO2

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Ethyl 2-fluorophenylacetate, 99%, Thermo Scientific Chemicals

CAS: 584-74-7 Molecular Formula: C10H11FO2 Molecular Weight (g/mol): 182.194 MDL Number: MFCD04039343 InChI Key: OFWMNCYZASDVSS-UHFFFAOYSA-N Synonym: ethyl 2-2-fluorophenyl acetate,ethyl 2-fluorophenylacetate,ethyl 2-fluorophenyl acetate,2-fluorophenylacetic acid ethyl ester,benzeneacetic acid, 2-fluoro-, ethyl ester,acmc-209uz7,ethyl 2-fluorobenzeneacetate PubChem CID: 7578179 IUPAC Name: ethyl 2-(2-fluorophenyl)acetate SMILES: CCOC(=O)CC1=CC=CC=C1F

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Specifications

PubChem CID	7578179
CAS	584-74-7
Molecular Weight (g/mol)	182.194
MDL Number	MFCD04039343
SMILES	CCOC(=O)CC1=CC=CC=C1F
Synonym	ethyl 2-2-fluorophenyl acetate,ethyl 2-fluorophenylacetate,ethyl 2-fluorophenyl acetate,2-fluorophenylacetic acid ethyl ester,benzeneacetic acid, 2-fluoro-, ethyl ester,acmc-209uz7,ethyl 2-fluorobenzeneacetate
IUPAC Name	ethyl 2-(2-fluorophenyl)acetate
InChI Key	OFWMNCYZASDVSS-UHFFFAOYSA-N
Molecular Formula	C10H11FO2

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1-(2-Fluorophenyl)ethanol, 95%, Thermo Scientific Chemicals

CAS: 445-26-1 Molecular Formula: C8H9FO Molecular Weight (g/mol): 140.157 MDL Number: MFCD00014401 InChI Key: SXFYVXSOEBCFLV-UHFFFAOYSA-N Synonym: 1-2-fluorophenyl ethanol,2-fluorophenylmethylcarbinol,2-fluoro-alpha-methylbenzyl alcohol,1-2-fluorophenyl ethan-1-ol,o-fluorophenylmethylcarbinol,2-fluorophenyl methyl carbinol,2-fluorophenylethanol,1-m-fluorophenyl ethanol,1-2'-fluorophenyl ethanol,fluorophenylmethylcarbinol PubChem CID: 123066 IUPAC Name: 1-(2-fluorophenyl)ethanol SMILES: CC(C1=CC=CC=C1F)O

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PubChem CID	123066
CAS	445-26-1
Molecular Weight (g/mol)	140.157
MDL Number	MFCD00014401
SMILES	CC(C1=CC=CC=C1F)O
Synonym	1-2-fluorophenyl ethanol,2-fluorophenylmethylcarbinol,2-fluoro-alpha-methylbenzyl alcohol,1-2-fluorophenyl ethan-1-ol,o-fluorophenylmethylcarbinol,2-fluorophenyl methyl carbinol,2-fluorophenylethanol,1-m-fluorophenyl ethanol,1-2'-fluorophenyl ethanol,fluorophenylmethylcarbinol
IUPAC Name	1-(2-fluorophenyl)ethanol
InChI Key	SXFYVXSOEBCFLV-UHFFFAOYSA-N
Molecular Formula	C8H9FO

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2-Bromo-3-fluorotoluene, 98%, Thermo Scientific Chemicals

CAS: 59907-13-0 Molecular Formula: C7H6BrF Molecular Weight (g/mol): 189.027 MDL Number: MFCD08458010 InChI Key: FYCXRRYRNRDSRM-UHFFFAOYSA-N Synonym: 2-bromo-3-fluorotoluene,3-fluoro-2-bromo toluene,benzene, 2-bromo-1-fluoro-3-methyl,2-brom-1-fluor-3-methylbenzol,pubchem4518,acmc-1awko,ksc493o4f,2-bromo-1-fluoro-3-methyl-benzene PubChem CID: 108856 IUPAC Name: 2-bromo-1-fluoro-3-methylbenzene SMILES: CC1=C(C(=CC=C1)F)Br

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PubChem CID	108856
CAS	59907-13-0
Molecular Weight (g/mol)	189.027
MDL Number	MFCD08458010
SMILES	CC1=C(C(=CC=C1)F)Br
Synonym	2-bromo-3-fluorotoluene,3-fluoro-2-bromo toluene,benzene, 2-bromo-1-fluoro-3-methyl,2-brom-1-fluor-3-methylbenzol,pubchem4518,acmc-1awko,ksc493o4f,2-bromo-1-fluoro-3-methyl-benzene
IUPAC Name	2-bromo-1-fluoro-3-methylbenzene
InChI Key	FYCXRRYRNRDSRM-UHFFFAOYSA-N
Molecular Formula	C7H6BrF

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3,5-Difluoroaniline, 98%

CAS: 372-39-4 Molecular Formula: C₆H₅F₂N Molecular Weight (g/mol): 129.11 MDL Number: MFCD00007763 InChI Key: KQOIBXZRCYFZSO-UHFFFAOYSA-N Synonym: benzenamine, 3,5-difluoro,3,5-difluorobenzenamine,3,5-difluorophenylamine,5an,3,5-difluoranilin,3,5-difluoroanilin,3,5 difluoroaniline,3.5-difluoroaniline,pubchem2296,3, 5-difluoroaniline PubChem CID: 96595 IUPAC Name: 3,5-difluoroaniline SMILES: C1=C(C=C(C=C1F)F)N

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Specifications

PubChem CID	96595
CAS	372-39-4
Molecular Weight (g/mol)	129.11
MDL Number	MFCD00007763
SMILES	C1=C(C=C(C=C1F)F)N
Synonym	benzenamine, 3,5-difluoro,3,5-difluorobenzenamine,3,5-difluorophenylamine,5an,3,5-difluoranilin,3,5-difluoroanilin,3,5 difluoroaniline,3.5-difluoroaniline,pubchem2296,3, 5-difluoroaniline
IUPAC Name	3,5-difluoroaniline
InChI Key	KQOIBXZRCYFZSO-UHFFFAOYSA-N
Molecular Formula	C₆H₅F₂N

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4-Fluorotoluene, 99%

CAS: 352-32-9 Molecular Formula: C7H7F Molecular Weight (g/mol): 110.131 MDL Number: MFCD00000358 InChI Key: WRWPPGUCZBJXKX-UHFFFAOYSA-N Synonym: 4-fluorotoluene,p-fluorotoluene,benzene, 1-fluoro-4-methyl,p-fluoromethylbenzene,toluene, p-fluoro,1-methyl-4-fluorobenzene,p-fluoromethyl benzene,unii-nud6wz1b8f,p-tolyl fluoride,para-fluorotoluene PubChem CID: 9603 IUPAC Name: 1-fluoro-4-methylbenzene SMILES: CC1=CC=C(C=C1)F

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Specifications

PubChem CID	9603
CAS	352-32-9
Molecular Weight (g/mol)	110.131
MDL Number	MFCD00000358
SMILES	CC1=CC=C(C=C1)F
Synonym	4-fluorotoluene,p-fluorotoluene,benzene, 1-fluoro-4-methyl,p-fluoromethylbenzene,toluene, p-fluoro,1-methyl-4-fluorobenzene,p-fluoromethyl benzene,unii-nud6wz1b8f,p-tolyl fluoride,para-fluorotoluene
IUPAC Name	1-fluoro-4-methylbenzene
InChI Key	WRWPPGUCZBJXKX-UHFFFAOYSA-N
Molecular Formula	C7H7F

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3,4-Difluorobenzylmagnesium bromide, 0.25M in 2-MeTHF

CAS: 738580-43-3 Molecular Formula: C7H5BrF2Mg Molecular Weight (g/mol): 231.32 MDL Number: MFCD04038253 InChI Key: XDAZDGMKYDLAIW-UHFFFAOYSA-M Synonym: 3,4-difluorobenzylmagnesium bromide,bromo 3,4-difluorophenyl methyl magnesium,xdazdgmkydlaiw-uhfffaoysa-m,3,4-difluorobenzylmagnesium bromide, 0.25m in 2-methf,3,4-difluorobenzylmagnesium bromide 0.25 m in diethyl ether,3,4-difluorobenzylmagnesium bromide 0.25m solution in diethyl ether,grignard reagent PubChem CID: 2778253 IUPAC Name: magnesium;1,2-difluoro-4-methanidylbenzene;bromide SMILES: FC1=C(F)C=C(C[Mg]Br)C=C1

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Specifications

PubChem CID	2778253
CAS	738580-43-3
Molecular Weight (g/mol)	231.32
MDL Number	MFCD04038253
SMILES	FC1=C(F)C=C(C[Mg]Br)C=C1
Synonym	3,4-difluorobenzylmagnesium bromide,bromo 3,4-difluorophenyl methyl magnesium,xdazdgmkydlaiw-uhfffaoysa-m,3,4-difluorobenzylmagnesium bromide, 0.25m in 2-methf,3,4-difluorobenzylmagnesium bromide 0.25 m in diethyl ether,3,4-difluorobenzylmagnesium bromide 0.25m solution in diethyl ether,grignard reagent
IUPAC Name	magnesium;1,2-difluoro-4-methanidylbenzene;bromide
InChI Key	XDAZDGMKYDLAIW-UHFFFAOYSA-M
Molecular Formula	C7H5BrF2Mg

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Sodium tetrakis(4-fluorophenyl)borate dihydrate, 98%

CAS: 207683-22-5 Molecular Formula: C24H20BF4NaO2 Molecular Weight (g/mol): 450.215 MDL Number: MFCD00149598 InChI Key: MSDGDEJOIBMWJD-UHFFFAOYSA-N Synonym: sodium tetrakis 4-fluorophenyl borate dihydrate,cesibor,tetrakis 4-fluorophenyl boron sodium,sodium tetrakis 4-fluorophenyl boranuide dihydrate,sodium tetrakis 4-fluorophenyl borate dihydrate nt,sodium tetrakis 4-fluorophenyl borate dihydrate, selectophore tm PubChem CID: 45073643 IUPAC Name: sodium;tetrakis(4-fluorophenyl)boranuide;dihydrate SMILES: [B-](C1=CC=C(C=C1)F)(C2=CC=C(C=C2)F)(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F.O.O.[Na+]

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Specifications

PubChem CID	45073643
CAS	207683-22-5
Molecular Weight (g/mol)	450.215
MDL Number	MFCD00149598
SMILES	[B-](C1=CC=C(C=C1)F)(C2=CC=C(C=C2)F)(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F.O.O.[Na+]
Synonym	sodium tetrakis 4-fluorophenyl borate dihydrate,cesibor,tetrakis 4-fluorophenyl boron sodium,sodium tetrakis 4-fluorophenyl boranuide dihydrate,sodium tetrakis 4-fluorophenyl borate dihydrate nt,sodium tetrakis 4-fluorophenyl borate dihydrate, selectophore tm
IUPAC Name	sodium;tetrakis(4-fluorophenyl)boranuide;dihydrate
InChI Key	MSDGDEJOIBMWJD-UHFFFAOYSA-N
Molecular Formula	C24H20BF4NaO2

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1,4-Difluorobenzene, 99+%

CAS: 540-36-3 Molecular Formula: C6H4F2 Molecular Weight (g/mol): 114.10 MDL Number: MFCD00000344 InChI Key: QUGUFLJIAFISSW-UHFFFAOYSA-N Synonym: p-difluorobenzene,benzene, 1,4-difluoro,para-difluorobenzene,benzene, p-difluoro,2,5-difluorobenzene,unii-y9fq2ef0z6,1,4-difluorbenzol,y9fq2ef0z6,benzene,4-difluoro,pubchem2309 PubChem CID: 10892 ChEBI: CHEBI:38585 IUPAC Name: 1,4-difluorobenzene SMILES: FC1=CC=C(F)C=C1

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Specifications

PubChem CID	10892
CAS	540-36-3
Molecular Weight (g/mol)	114.10
ChEBI	CHEBI:38585
MDL Number	MFCD00000344
SMILES	FC1=CC=C(F)C=C1
Synonym	p-difluorobenzene,benzene, 1,4-difluoro,para-difluorobenzene,benzene, p-difluoro,2,5-difluorobenzene,unii-y9fq2ef0z6,1,4-difluorbenzol,y9fq2ef0z6,benzene,4-difluoro,pubchem2309
IUPAC Name	1,4-difluorobenzene
InChI Key	QUGUFLJIAFISSW-UHFFFAOYSA-N
Molecular Formula	C6H4F2

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2-Fluorophenyl isothiocyanate, 97%

CAS: 38985-64-7 Molecular Formula: C7H4FNS Molecular Weight (g/mol): 153.17 MDL Number: MFCD00004800 InChI Key: OAGDRIUTLPDSMJ-UHFFFAOYSA-N Synonym: 2-fluorophenyl isothiocyanate,o-fluorophenyl isothiocyanate,benzene, 1-fluoro-2-isothiocyanato,2-fluorophenylisothiocyanate,1-fluoro-2-isothiocyanato-benzene,isothiocyanic acid 2-fluorophenyl ester,benzene,1-fluoro-2-isothiocyanato,o-fluoro phenyl isothiocyanate,2-fluorobenzenisothiocyanate,timtec-bb sbb006546 PubChem CID: 97520 IUPAC Name: 1-fluoro-2-isothiocyanatobenzene SMILES: FC1=CC=CC=C1N=C=S

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Specifications

PubChem CID	97520
CAS	38985-64-7
Molecular Weight (g/mol)	153.17
MDL Number	MFCD00004800
SMILES	FC1=CC=CC=C1N=C=S
Synonym	2-fluorophenyl isothiocyanate,o-fluorophenyl isothiocyanate,benzene, 1-fluoro-2-isothiocyanato,2-fluorophenylisothiocyanate,1-fluoro-2-isothiocyanato-benzene,isothiocyanic acid 2-fluorophenyl ester,benzene,1-fluoro-2-isothiocyanato,o-fluoro phenyl isothiocyanate,2-fluorobenzenisothiocyanate,timtec-bb sbb006546
IUPAC Name	1-fluoro-2-isothiocyanatobenzene
InChI Key	OAGDRIUTLPDSMJ-UHFFFAOYSA-N
Molecular Formula	C7H4FNS

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