Benzyl Derivatives

Organic compounds that are derived from compounds that contain a benzene ring attached to a CH2 group, and have the following structure: C6H5CH2–.

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Benzyl Alcohol (Certified ACS), Fisher Chemical™

CAS: 100-51-6 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 MDL Number: MFCD00004599,MFCD03792087 InChI Key: WVDDGKGOMKODPV-UHFFFAOYSA-N Synonym: benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol PubChem CID: 244 ChEBI: CHEBI:17987 IUPAC Name: phenylmethanol SMILES: OCC1=CC=CC=C1

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PubChem CID	244
CAS	100-51-6
Molecular Weight (g/mol)	108.14
ChEBI	CHEBI:17987
MDL Number	MFCD00004599,MFCD03792087
SMILES	OCC1=CC=CC=C1
Synonym	benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol
IUPAC Name	phenylmethanol
InChI Key	WVDDGKGOMKODPV-UHFFFAOYSA-N
Molecular Formula	C7H8O

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PubChem CID	244
CAS	100-51-6
Molecular Weight (g/mol)	108.14
ChEBI	CHEBI:17987
MDL Number	MFCD00004599,MFCD03792087
SMILES	OCC1=CC=CC=C1
Synonym	benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol
IUPAC Name	phenylmethanol
InChI Key	WVDDGKGOMKODPV-UHFFFAOYSA-N
Molecular Formula	C7H8O

1-[4-(Bromomethyl)phenyl]-1H-1,2,4-triazole, 97%, Thermo Scientific™

CAS: 58419-69-5 Molecular Formula: C9H8BrN3 Molecular Weight (g/mol): 238.088 MDL Number: MFCD04113600 InChI Key: NOUAEJFAVOHNSY-UHFFFAOYSA-N Synonym: 1-4-bromomethyl phenyl-1h-1,2,4-triazole,1-4-bromomethyl phenyl-1,2,4-triazole,1h-1,2,4-triazole, 1-4-bromomethyl phenyl,1-4-bromomethylphenyl-1h-1,2,4-triazole,zlchem 1040,1-4-bromomethyl phenyl-1h-1,2,4-triazol,1-4-bromomethyl-phenyl-1h-1,2,4-triazole,1-4-bromo-methyl phenyl-1h-1,2,4-triazole PubChem CID: 2776489 IUPAC Name: 1-[4-(bromomethyl)phenyl]-1,2,4-triazole SMILES: C1=CC(=CC=C1CBr)N2C=NC=N2

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PubChem CID	2776489
CAS	58419-69-5
Molecular Weight (g/mol)	238.088
MDL Number	MFCD04113600
SMILES	C1=CC(=CC=C1CBr)N2C=NC=N2
Synonym	1-4-bromomethyl phenyl-1h-1,2,4-triazole,1-4-bromomethyl phenyl-1,2,4-triazole,1h-1,2,4-triazole, 1-4-bromomethyl phenyl,1-4-bromomethylphenyl-1h-1,2,4-triazole,zlchem 1040,1-4-bromomethyl phenyl-1h-1,2,4-triazol,1-4-bromomethyl-phenyl-1h-1,2,4-triazole,1-4-bromo-methyl phenyl-1h-1,2,4-triazole
IUPAC Name	1-[4-(bromomethyl)phenyl]-1,2,4-triazole
InChI Key	NOUAEJFAVOHNSY-UHFFFAOYSA-N
Molecular Formula	C9H8BrN3

3-Chlorobenzyl bromide, 97%

CAS: 766-80-3 Molecular Formula: C7H6BrCl Molecular Weight (g/mol): 205.48 MDL Number: MFCD00000597 InChI Key: LZIYAIRGDHSVED-UHFFFAOYSA-N Synonym: 3-chlorobenzyl bromide,1-bromomethyl-3-chlorobenzene,3-chlorobenzylbromide,alpha-bromo-3-chlorotoluene,m-chlorobenzyl bromide,benzene, 1-bromomethyl-3-chloro,alpha-bromo-m-chlorotoluene,.alpha.-bromo-m-chlorotoluene,1-bromomethyl-3-chloro-benzene,3-chorobenzylbromide PubChem CID: 69838 IUPAC Name: 1-(bromomethyl)-3-chlorobenzene SMILES: ClC1=CC=CC(CBr)=C1

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Specifications

PubChem CID	69838
CAS	766-80-3
Molecular Weight (g/mol)	205.48
MDL Number	MFCD00000597
SMILES	ClC1=CC=CC(CBr)=C1
Synonym	3-chlorobenzyl bromide,1-bromomethyl-3-chlorobenzene,3-chlorobenzylbromide,alpha-bromo-3-chlorotoluene,m-chlorobenzyl bromide,benzene, 1-bromomethyl-3-chloro,alpha-bromo-m-chlorotoluene,.alpha.-bromo-m-chlorotoluene,1-bromomethyl-3-chloro-benzene,3-chorobenzylbromide
IUPAC Name	1-(bromomethyl)-3-chlorobenzene
InChI Key	LZIYAIRGDHSVED-UHFFFAOYSA-N
Molecular Formula	C7H6BrCl

(R)-(-)-alpha-Methoxy-alpha-(trifluoromethyl)phenylacetyl chloride, 98+%

CAS: 39637-99-5 Molecular Formula: C10H8ClF3O2 Molecular Weight (g/mol): 252.62 MDL Number: MFCD00044400 InChI Key: PAORVUMOXXAMPL-VIFPVBQESA-N Synonym: unii-81ut10uhv3,r---mtpa-cl,--alpha-methoxy-alpha-trifluoromethyl phenylacetyl chloride,r---alpha-methoxy-alpha-trifluoromethyl phenylacetyl chloride,r-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride,2r-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride,r---a-methoxy-a-trifluoromethylphenylacetyl chloride,r---alpha-methoxy-alpha-trifluoromethylphenylacetyl chloride,--mtpa-cl,--mosher's acid chloride PubChem CID: 3080792 IUPAC Name: (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride SMILES: CO[C@](C(Cl)=O)(C1=CC=CC=C1)C(F)(F)F

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Specifications

PubChem CID	3080792
CAS	39637-99-5
Molecular Weight (g/mol)	252.62
MDL Number	MFCD00044400
SMILES	CO[C@](C(Cl)=O)(C1=CC=CC=C1)C(F)(F)F
Synonym	unii-81ut10uhv3,r---mtpa-cl,--alpha-methoxy-alpha-trifluoromethyl phenylacetyl chloride,r---alpha-methoxy-alpha-trifluoromethyl phenylacetyl chloride,r-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride,2r-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride,r---a-methoxy-a-trifluoromethylphenylacetyl chloride,r---alpha-methoxy-alpha-trifluoromethylphenylacetyl chloride,--mtpa-cl,--mosher's acid chloride
IUPAC Name	(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride
InChI Key	PAORVUMOXXAMPL-VIFPVBQESA-N
Molecular Formula	C10H8ClF3O2

3-Iodophenylacetonitrile, 97%

CAS: 130723-54-5 Molecular Formula: C8H6IN Molecular Weight (g/mol): 243.05 MDL Number: MFCD00040890 InChI Key: LVOKGAHCTHNWIL-UHFFFAOYSA-N Synonym: 3-iodophenylacetonitrile,2-3-iodophenyl acetonitrile,3-iodobenzyl cyanide,3-iodophenyl acetonitrile,m-iodobenzyl cyanide,3-iodophenyacetonitrile,pubchem12771,3-iodo-1-phenylacetonitrile,acmc-1c0v0,benzeneacetonitrile, 3-iodo PubChem CID: 2759368 IUPAC Name: 2-(3-iodophenyl)acetonitrile SMILES: IC1=CC=CC(CC#N)=C1

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Specifications

PubChem CID	2759368
CAS	130723-54-5
Molecular Weight (g/mol)	243.05
MDL Number	MFCD00040890
SMILES	IC1=CC=CC(CC#N)=C1
Synonym	3-iodophenylacetonitrile,2-3-iodophenyl acetonitrile,3-iodobenzyl cyanide,3-iodophenyl acetonitrile,m-iodobenzyl cyanide,3-iodophenyacetonitrile,pubchem12771,3-iodo-1-phenylacetonitrile,acmc-1c0v0,benzeneacetonitrile, 3-iodo
IUPAC Name	2-(3-iodophenyl)acetonitrile
InChI Key	LVOKGAHCTHNWIL-UHFFFAOYSA-N
Molecular Formula	C8H6IN

[3-(Phenoxymethyl)phenyl]methanol, 97%, Thermo Scientific™

CAS: 34904-99-9 Molecular Formula: C14H14O2 Molecular Weight (g/mol): 214.264 MDL Number: MFCD09025916 InChI Key: ZKZSJQJXKWKOJY-UHFFFAOYSA-N Synonym: 3-phenoxymethyl phenyl methanol,3-phenoxymethyl phenyl methan-1-ol PubChem CID: 12399930 IUPAC Name: [3-(phenoxymethyl)phenyl]methanol SMILES: C1=CC=C(C=C1)OCC2=CC=CC(=C2)CO

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Specifications

PubChem CID	12399930
CAS	34904-99-9
Molecular Weight (g/mol)	214.264
MDL Number	MFCD09025916
SMILES	C1=CC=C(C=C1)OCC2=CC=CC(=C2)CO
Synonym	3-phenoxymethyl phenyl methanol,3-phenoxymethyl phenyl methan-1-ol
IUPAC Name	[3-(phenoxymethyl)phenyl]methanol
InChI Key	ZKZSJQJXKWKOJY-UHFFFAOYSA-N
Molecular Formula	C14H14O2

2-Chlorobenzyl chloride, 98+%

CAS: 611-19-8 Molecular Formula: C7H6Cl2 Molecular Weight (g/mol): 161.025 MDL Number: MFCD00000893 InChI Key: BASMANVIUSSIIM-UHFFFAOYSA-N Synonym: 2-chlorobenzyl chloride,1-chloro-2-chloromethyl benzene,2-chlorobenzylchloride,o-chlorobenzyl chloride,alpha,2-dichlorotoluene,benzene, 1-chloro-2-chloromethyl,alpha,o-dichlorotoluene,ar,alpha-dichlorotoluene,ortho-alpha-dichlorotoluene,unii-h58di83rmd PubChem CID: 11906 IUPAC Name: 1-chloro-2-(chloromethyl)benzene SMILES: C1=CC=C(C(=C1)CCl)Cl

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Specifications

PubChem CID	11906
CAS	611-19-8
Molecular Weight (g/mol)	161.025
MDL Number	MFCD00000893
SMILES	C1=CC=C(C(=C1)CCl)Cl
Synonym	2-chlorobenzyl chloride,1-chloro-2-chloromethyl benzene,2-chlorobenzylchloride,o-chlorobenzyl chloride,alpha,2-dichlorotoluene,benzene, 1-chloro-2-chloromethyl,alpha,o-dichlorotoluene,ar,alpha-dichlorotoluene,ortho-alpha-dichlorotoluene,unii-h58di83rmd
IUPAC Name	1-chloro-2-(chloromethyl)benzene
InChI Key	BASMANVIUSSIIM-UHFFFAOYSA-N
Molecular Formula	C7H6Cl2

2,3,4,5,6-Pentafluorobenzyl alcohol, 98%

CAS: 440-60-8 Molecular Formula: C7H3F5O Molecular Weight (g/mol): 198.092 MDL Number: MFCD00004602 InChI Key: PGJYYCIOYBZTPU-UHFFFAOYSA-N Synonym: 2,3,4,5,6-pentafluorobenzyl alcohol,pentafluorobenzyl alcohol,perfluorophenyl methanol,pentafluorophenyl methanol,2,3,4,5,6-pentafluorophenyl methanol,2,3,4,5,6-pentafluorobenzenemethanol,hydroxymethyl pentafluorobenzene,benzenemethanol, 2,3,4,5,6-pentafluoro,pentafluorobenzylalcohol,2,3,4,5,6-pentafluorobenzylalcohol PubChem CID: 9923 ChEBI: CHEBI:44903 IUPAC Name: (2,3,4,5,6-pentafluorophenyl)methanol SMILES: C(C1=C(C(=C(C(=C1F)F)F)F)F)O

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Specifications

PubChem CID	9923
CAS	440-60-8
Molecular Weight (g/mol)	198.092
ChEBI	CHEBI:44903
MDL Number	MFCD00004602
SMILES	C(C1=C(C(=C(C(=C1F)F)F)F)F)O
Synonym	2,3,4,5,6-pentafluorobenzyl alcohol,pentafluorobenzyl alcohol,perfluorophenyl methanol,pentafluorophenyl methanol,2,3,4,5,6-pentafluorophenyl methanol,2,3,4,5,6-pentafluorobenzenemethanol,hydroxymethyl pentafluorobenzene,benzenemethanol, 2,3,4,5,6-pentafluoro,pentafluorobenzylalcohol,2,3,4,5,6-pentafluorobenzylalcohol
IUPAC Name	(2,3,4,5,6-pentafluorophenyl)methanol
InChI Key	PGJYYCIOYBZTPU-UHFFFAOYSA-N
Molecular Formula	C7H3F5O

o-Tolylacetonitrile, 98+%

CAS: 22364-68-7 Molecular Formula: C9H9N Molecular Weight (g/mol): 131.178 MDL Number: MFCD00001904 InChI Key: WMGVPDQNPUQRND-UHFFFAOYSA-N Synonym: 2-methylbenzyl cyanide,2-o-tolyl acetonitrile,o-tolylacetonitrile,2-methylphenylacetonitrile,o-methylphenylacetonitrile,o-xylyl cyanide,o-methylbenzyl cyanide,acetonitrile, o-tolyl,benzeneacetonitrile, 2-methyl,2-2-methylphenyl acetonitrile PubChem CID: 31155 ChEBI: CHEBI:27982 IUPAC Name: 2-(2-methylphenyl)acetonitrile SMILES: CC1=CC=CC=C1CC#N

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Specifications

PubChem CID	31155
CAS	22364-68-7
Molecular Weight (g/mol)	131.178
ChEBI	CHEBI:27982
MDL Number	MFCD00001904
SMILES	CC1=CC=CC=C1CC#N
Synonym	2-methylbenzyl cyanide,2-o-tolyl acetonitrile,o-tolylacetonitrile,2-methylphenylacetonitrile,o-methylphenylacetonitrile,o-xylyl cyanide,o-methylbenzyl cyanide,acetonitrile, o-tolyl,benzeneacetonitrile, 2-methyl,2-2-methylphenyl acetonitrile
IUPAC Name	2-(2-methylphenyl)acetonitrile
InChI Key	WMGVPDQNPUQRND-UHFFFAOYSA-N
Molecular Formula	C9H9N

4-Methoxybenzyl alcohol, 98%

CAS: 105-13-5 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.17 MDL Number: MFCD00004653 InChI Key: MSHFRERJPWKJFX-UHFFFAOYSA-N Synonym: 4-methoxybenzyl alcohol,4-methoxyphenyl methanol,anise alcohol,anisyl alcohol,p-anisyl alcohol,p-methoxybenzyl alcohol,benzenemethanol, 4-methoxy,anisic alcohol,p-anisol alcohol,4-methoxybenzenemethanol PubChem CID: 7738 ChEBI: CHEBI:86918 IUPAC Name: (4-methoxyphenyl)methanol SMILES: COC1=CC=C(CO)C=C1

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Specifications

PubChem CID	7738
CAS	105-13-5
Molecular Weight (g/mol)	138.17
ChEBI	CHEBI:86918
MDL Number	MFCD00004653
SMILES	COC1=CC=C(CO)C=C1
Synonym	4-methoxybenzyl alcohol,4-methoxyphenyl methanol,anise alcohol,anisyl alcohol,p-anisyl alcohol,p-methoxybenzyl alcohol,benzenemethanol, 4-methoxy,anisic alcohol,p-anisol alcohol,4-methoxybenzenemethanol
IUPAC Name	(4-methoxyphenyl)methanol
InChI Key	MSHFRERJPWKJFX-UHFFFAOYSA-N
Molecular Formula	C8H10O2

Benzyloxyacetaldehyde diethyl acetal, 98%

CAS: 42783-78-8 Molecular Formula: C13H20O3 Molecular Weight (g/mol): 224.3 MDL Number: MFCD00051786 InChI Key: VTYTZCJKJNWMGA-UHFFFAOYSA-N Synonym: 2,2-diethoxyethoxy methyl benzene,benzyloxyacetaldehyde diethyl acetal,benzene, 2,2-diethoxyethoxy methyl,acmc-20alp5,1,1-diethoxy-2-benzyloxy ethane,2,2-diethoxy-ethoxymethyl-benzene,2,2-diethoxy-1-phenylmethoxy ethane,2-benzyloxy acetaldehyde diethyl acetal PubChem CID: 4321487 IUPAC Name: 2,2-diethoxyethoxymethylbenzene SMILES: CCOC(COCC1=CC=CC=C1)OCC

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Specifications

PubChem CID	4321487
CAS	42783-78-8
Molecular Weight (g/mol)	224.3
MDL Number	MFCD00051786
SMILES	CCOC(COCC1=CC=CC=C1)OCC
Synonym	2,2-diethoxyethoxy methyl benzene,benzyloxyacetaldehyde diethyl acetal,benzene, 2,2-diethoxyethoxy methyl,acmc-20alp5,1,1-diethoxy-2-benzyloxy ethane,2,2-diethoxy-ethoxymethyl-benzene,2,2-diethoxy-1-phenylmethoxy ethane,2-benzyloxy acetaldehyde diethyl acetal
IUPAC Name	2,2-diethoxyethoxymethylbenzene
InChI Key	VTYTZCJKJNWMGA-UHFFFAOYSA-N
Molecular Formula	C13H20O3

4-Cyanophenylacetonitrile, 97%

CAS: 876-31-3 Molecular Formula: C9H6N2 Molecular Weight (g/mol): 142.16 MDL Number: MFCD00060305 InChI Key: QILKKAFYAFEWGU-UHFFFAOYSA-N Synonym: 4-cyanomethyl benzonitrile,4-cyanophenylacetonitrile,benzeneacetonitrile, 4-cyano,p-tolunitrile, .alpha.-cyano,p-cyanobenzylcyanide,4-cyanobenzeneacetonitrile,.alpha.-cyano-p-tolunitrile,4-cyanbenzylcyanide,4-cyanobenzylcyanide,acmc-209qoz PubChem CID: 136686 IUPAC Name: 4-(cyanomethyl)benzonitrile SMILES: N#CCC1=CC=C(C=C1)C#N

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Specifications

PubChem CID	136686
CAS	876-31-3
Molecular Weight (g/mol)	142.16
MDL Number	MFCD00060305
SMILES	N#CCC1=CC=C(C=C1)C#N
Synonym	4-cyanomethyl benzonitrile,4-cyanophenylacetonitrile,benzeneacetonitrile, 4-cyano,p-tolunitrile, .alpha.-cyano,p-cyanobenzylcyanide,4-cyanobenzeneacetonitrile,.alpha.-cyano-p-tolunitrile,4-cyanbenzylcyanide,4-cyanobenzylcyanide,acmc-209qoz
IUPAC Name	4-(cyanomethyl)benzonitrile
InChI Key	QILKKAFYAFEWGU-UHFFFAOYSA-N
Molecular Formula	C9H6N2

2-Fluorobenzyl bromide, 98%

CAS: 446-48-0 Molecular Formula: C7H6BrF Molecular Weight (g/mol): 189.027 MDL Number: MFCD00000324 InChI Key: FFWQLZFIMNTUCZ-UHFFFAOYSA-N Synonym: 2-fluorobenzyl bromide,1-bromomethyl-2-fluorobenzene,2-fluorobenzylbromide,o-fluorobenzyl bromide,alpha-bromo-o-fluorotoluene,alpha-bromo-2-fluorotoluene,2-fluoro-benzyl bromide,1-bromomethyl-2-fluoro-benzene,benzene, 1-bromomethyl-2-fluoro,2-fluoro-benzylbromide PubChem CID: 67968 IUPAC Name: 1-(bromomethyl)-2-fluorobenzene SMILES: C1=CC=C(C(=C1)CBr)F

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Specifications

PubChem CID	67968
CAS	446-48-0
Molecular Weight (g/mol)	189.027
MDL Number	MFCD00000324
SMILES	C1=CC=C(C(=C1)CBr)F
Synonym	2-fluorobenzyl bromide,1-bromomethyl-2-fluorobenzene,2-fluorobenzylbromide,o-fluorobenzyl bromide,alpha-bromo-o-fluorotoluene,alpha-bromo-2-fluorotoluene,2-fluoro-benzyl bromide,1-bromomethyl-2-fluoro-benzene,benzene, 1-bromomethyl-2-fluoro,2-fluoro-benzylbromide
IUPAC Name	1-(bromomethyl)-2-fluorobenzene
InChI Key	FFWQLZFIMNTUCZ-UHFFFAOYSA-N
Molecular Formula	C7H6BrF

(1S,2S)-(+)-2-Benzyloxycyclohexylamine, ChiPros 99+%, ee 99%

CAS: 216394-07-9 Molecular Formula: C13H19NO Molecular Weight (g/mol): 205.30 MDL Number: MFCD01075753 InChI Key: NTHNRYLIXJZHRZ-UHFFFAOYNA-N PubChem CID: 11908838 IUPAC Name: (1S,2S)-2-phenylmethoxycyclohexan-1-amine SMILES: NC1CCCCC1OCC1=CC=CC=C1

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Specifications

PubChem CID	11908838
CAS	216394-07-9
Molecular Weight (g/mol)	205.30
MDL Number	MFCD01075753
SMILES	NC1CCCCC1OCC1=CC=CC=C1
IUPAC Name	(1S,2S)-2-phenylmethoxycyclohexan-1-amine
InChI Key	NTHNRYLIXJZHRZ-UHFFFAOYNA-N
Molecular Formula	C13H19NO

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