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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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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Specifications

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

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Benzyl Alcohol (NF), 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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Specifications

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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Benzyl Alcohol (Certified ACS), Fisher Chemical™

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Specifications

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

3-Nitrobenzyl bromide, 98+%

CAS: 3958-57-4 Molecular Formula: C7H6BrNO2 Molecular Weight (g/mol): 216.034 MDL Number: MFCD00007271 InChI Key: LNWXALCHPJANMJ-UHFFFAOYSA-N Synonym: 3-nitrobenzyl bromide,1-bromomethyl-3-nitrobenzene,m-nitrobenzyl bromide,benzene, 1-bromomethyl-3-nitro,alpha-bromo-3-nitrotoluene,m-bromomethyl nitrobenzene,alpha-bromo-m-nitrotoluene,m-nitro-alpha-bromotoluene,3-nitrobenzylbromide,toluene, alpha-bromo-m-nitro PubChem CID: 77568 IUPAC Name: 1-(bromomethyl)-3-nitrobenzene SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])CBr

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Specifications

PubChem CID	77568
CAS	3958-57-4
Molecular Weight (g/mol)	216.034
MDL Number	MFCD00007271
SMILES	C1=CC(=CC(=C1)[N+](=O)[O-])CBr
Synonym	3-nitrobenzyl bromide,1-bromomethyl-3-nitrobenzene,m-nitrobenzyl bromide,benzene, 1-bromomethyl-3-nitro,alpha-bromo-3-nitrotoluene,m-bromomethyl nitrobenzene,alpha-bromo-m-nitrotoluene,m-nitro-alpha-bromotoluene,3-nitrobenzylbromide,toluene, alpha-bromo-m-nitro
IUPAC Name	1-(bromomethyl)-3-nitrobenzene
InChI Key	LNWXALCHPJANMJ-UHFFFAOYSA-N
Molecular Formula	C7H6BrNO2

3,4-Dimethylbenzyl alcohol, 97%

CAS: 6966-10-5 MDL Number: MFCD00004647

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Specifications

CAS	6966-10-5
MDL Number	MFCD00004647

4-Aminobenzyl cyanide, 99%

CAS: 3544-25-0 Molecular Formula: C8H8N2 Molecular Weight (g/mol): 132.17 MDL Number: MFCD00007912 InChI Key: YCWRFIYBUQBHJI-UHFFFAOYSA-N Synonym: 4-aminobenzyl cyanide,4-aminophenylacetonitrile,2-4-aminophenyl acetonitrile,4-aminophenyl acetonitrile,p-aminobenzyl cyanide,benzeneacetonitrile, 4-amino,4-aminobenzylcyanide,4-amino-phenyl-acetonitrile,2-4-aminophenyl ethanenitrile,4-aminobenzyl PubChem CID: 77000 IUPAC Name: 2-(4-aminophenyl)acetonitrile SMILES: NC1=CC=C(CC#N)C=C1

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Specifications

PubChem CID	77000
CAS	3544-25-0
Molecular Weight (g/mol)	132.17
MDL Number	MFCD00007912
SMILES	NC1=CC=C(CC#N)C=C1
Synonym	4-aminobenzyl cyanide,4-aminophenylacetonitrile,2-4-aminophenyl acetonitrile,4-aminophenyl acetonitrile,p-aminobenzyl cyanide,benzeneacetonitrile, 4-amino,4-aminobenzylcyanide,4-amino-phenyl-acetonitrile,2-4-aminophenyl ethanenitrile,4-aminobenzyl
IUPAC Name	2-(4-aminophenyl)acetonitrile
InChI Key	YCWRFIYBUQBHJI-UHFFFAOYSA-N
Molecular Formula	C8H8N2

alpha,alpha'-Dichloro-o-xylene, 98%

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2-Iodobenzyl alcohol, 99%

CAS: 5159-41-1 Molecular Formula: C₇H₇IO Molecular Weight (g/mol): 234.04 MDL Number: MFCD00004610 InChI Key: WZCXOBMFBKSSFA-UHFFFAOYSA-N Synonym: 2-iodobenzyl alcohol,2-iodophenyl methanol,o-iodobenzyl alcohol,2-iodobenzylalcohol,benzenemethanol, 2-iodo,2-iodobenzylic alcohol,2-jod-benzylalkohol,o-iodo benzylalcohol,2-iodo-benzyl alcohol PubChem CID: 107629 IUPAC Name: (2-iodophenyl)methanol SMILES: C1=CC=C(C(=C1)CO)I

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Specifications

PubChem CID	107629
CAS	5159-41-1
Molecular Weight (g/mol)	234.04
MDL Number	MFCD00004610
SMILES	C1=CC=C(C(=C1)CO)I
Synonym	2-iodobenzyl alcohol,2-iodophenyl methanol,o-iodobenzyl alcohol,2-iodobenzylalcohol,benzenemethanol, 2-iodo,2-iodobenzylic alcohol,2-jod-benzylalkohol,o-iodo benzylalcohol,2-iodo-benzyl alcohol
IUPAC Name	(2-iodophenyl)methanol
InChI Key	WZCXOBMFBKSSFA-UHFFFAOYSA-N
Molecular Formula	C₇H₇IO

4-Hydroxyphenylacetonitrile, 97%

CAS: 14191-95-8 Molecular Formula: C8H7NO Molecular Weight (g/mol): 133.15 MDL Number: MFCD00002383 InChI Key: AYKYOOPFBCOXSL-UHFFFAOYSA-N Synonym: 4-hydroxybenzyl cyanide,4-hydroxyphenylacetonitrile,2-4-hydroxyphenyl acetonitrile,p-hydroxybenzyl cyanide,4-hydroxyphenyl acetonitrile,p-hydroxyphenylacetonitrile,4-hydroxybenzylcyanide,4-hydroxybenzeneacetonitrile,benzeneacetonitrile, 4-hydroxy,acetonitrile, p-hydroxyphenyl PubChem CID: 26548 ChEBI: CHEBI:16667 IUPAC Name: 2-(4-hydroxyphenyl)acetonitrile SMILES: OC1=CC=C(CC#N)C=C1

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Specifications

PubChem CID	26548
CAS	14191-95-8
Molecular Weight (g/mol)	133.15
ChEBI	CHEBI:16667
MDL Number	MFCD00002383
SMILES	OC1=CC=C(CC#N)C=C1
Synonym	4-hydroxybenzyl cyanide,4-hydroxyphenylacetonitrile,2-4-hydroxyphenyl acetonitrile,p-hydroxybenzyl cyanide,4-hydroxyphenyl acetonitrile,p-hydroxyphenylacetonitrile,4-hydroxybenzylcyanide,4-hydroxybenzeneacetonitrile,benzeneacetonitrile, 4-hydroxy,acetonitrile, p-hydroxyphenyl
IUPAC Name	2-(4-hydroxyphenyl)acetonitrile
InChI Key	AYKYOOPFBCOXSL-UHFFFAOYSA-N
Molecular Formula	C8H7NO

3-Fluoro-4-methoxybenzyl chloride, 98%

CAS: 351-52-0 Molecular Formula: C8H8ClFO Molecular Weight (g/mol): 174.60 MDL Number: MFCD04973773 InChI Key: DDAXEANMRGIVDY-UHFFFAOYSA-N Synonym: 3-fluoro-4-methoxybenzyl chloride,4-chloromethyl-2-fluoro-1-methoxybenzene,3-fluoro-4-methoxybenzylchloride,benzene,4-chloromethyl-2-fluoro-1-methoxy,benzene, 4-chloromethyl-2-fluoro-1-methoxy,4-chloromethyl-2-fluorophenyl methyl ether,4-chloromethyl-2-fluoro-1-methoxy-benzene,3-fluor-4-methoxy-benzylchlorid,4-chloromethyl-2-fluoroanisole,3-fluoro-4-methoxy benzyl chloride PubChem CID: 2060903 IUPAC Name: 4-(chloromethyl)-2-fluoro-1-methoxybenzene SMILES: COC1=CC=C(CCl)C=C1F

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Specifications

PubChem CID	2060903
CAS	351-52-0
Molecular Weight (g/mol)	174.60
MDL Number	MFCD04973773
SMILES	COC1=CC=C(CCl)C=C1F
Synonym	3-fluoro-4-methoxybenzyl chloride,4-chloromethyl-2-fluoro-1-methoxybenzene,3-fluoro-4-methoxybenzylchloride,benzene,4-chloromethyl-2-fluoro-1-methoxy,benzene, 4-chloromethyl-2-fluoro-1-methoxy,4-chloromethyl-2-fluorophenyl methyl ether,4-chloromethyl-2-fluoro-1-methoxy-benzene,3-fluor-4-methoxy-benzylchlorid,4-chloromethyl-2-fluoroanisole,3-fluoro-4-methoxy benzyl chloride
IUPAC Name	4-(chloromethyl)-2-fluoro-1-methoxybenzene
InChI Key	DDAXEANMRGIVDY-UHFFFAOYSA-N
Molecular Formula	C8H8ClFO

DL-alpha-Methoxyphenylacetic acid, 99%

CAS: 7021-09-2 Molecular Formula: C₉H₁₀O₃ Molecular Weight (g/mol): 166.18 InChI Key: DIWVBIXQCNRCFE-UHFFFAOYNA-N Synonym: methoxyphenylacetic acid,methoxy phenyl acetic acid,dl-alpha-methoxyphenylacetic acid,acetic acid, methoxyphenyl,alpha-methoxyphenylacetic acid,o-methyl-dl-mandelic acid,benzeneacetic acid, .alpha.-methoxy,2-methoxy-2-phenyl-acetic acid,methyloxy phenyl acetic acid,.alpha.-methoxyphenylacetic acid PubChem CID: 107202 IUPAC Name: 2-methoxy-2-phenylacetic acid SMILES: COC(C1=CC=CC=C1)C(=O)O

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Specifications

PubChem CID	107202
CAS	7021-09-2
Molecular Weight (g/mol)	166.18
SMILES	COC(C1=CC=CC=C1)C(=O)O
Synonym	methoxyphenylacetic acid,methoxy phenyl acetic acid,dl-alpha-methoxyphenylacetic acid,acetic acid, methoxyphenyl,alpha-methoxyphenylacetic acid,o-methyl-dl-mandelic acid,benzeneacetic acid, .alpha.-methoxy,2-methoxy-2-phenyl-acetic acid,methyloxy phenyl acetic acid,.alpha.-methoxyphenylacetic acid
IUPAC Name	2-methoxy-2-phenylacetic acid
InChI Key	DIWVBIXQCNRCFE-UHFFFAOYNA-N
Molecular Formula	C₉H₁₀O₃

3,4-Dimethoxyphenylacetonitrile, 98%

CAS: 93-17-4 Molecular Formula: C10H11NO2 Molecular Weight (g/mol): 177.203 MDL Number: MFCD00001911 InChI Key: ASLSUMISAQDOOB-UHFFFAOYSA-N Synonym: 3,4-dimethoxyphenylacetonitrile,3,4-dimethoxyphenyl acetonitrile,homoveratronitrile,3,4-dimethoxybenzyl cyanide,veratryl cyanide,2-3,4-dimethoxyphenyl acetonitrile,3,4-dimethoxybenzeneacetonitrile,benzeneacetonitrile, 3,4-dimethoxy,unii-62c8s706sp,3,4-dimethoxy phenylacetonitrile PubChem CID: 66727 IUPAC Name: 2-(3,4-dimethoxyphenyl)acetonitrile SMILES: COC1=C(C=C(C=C1)CC#N)OC

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Specifications

PubChem CID	66727
CAS	93-17-4
Molecular Weight (g/mol)	177.203
MDL Number	MFCD00001911
SMILES	COC1=C(C=C(C=C1)CC#N)OC
Synonym	3,4-dimethoxyphenylacetonitrile,3,4-dimethoxyphenyl acetonitrile,homoveratronitrile,3,4-dimethoxybenzyl cyanide,veratryl cyanide,2-3,4-dimethoxyphenyl acetonitrile,3,4-dimethoxybenzeneacetonitrile,benzeneacetonitrile, 3,4-dimethoxy,unii-62c8s706sp,3,4-dimethoxy phenylacetonitrile
IUPAC Name	2-(3,4-dimethoxyphenyl)acetonitrile
InChI Key	ASLSUMISAQDOOB-UHFFFAOYSA-N
Molecular Formula	C10H11NO2

3-(Cyanomethyl)benzeneboronic acid, 96%

CAS: 220616-39-7 Molecular Formula: C8H8BNO2 Molecular Weight (g/mol): 160.97 MDL Number: MFCD03788026 InChI Key: JFMYJQMAPRBDFF-UHFFFAOYSA-N Synonym: 3-cyanomethylphenylboronic acid,3-cyanomethyl phenyl boronic acid,3-cyanomethyl phenylboronic acid,3-cyanomethyl benzeneboronic acid,3-boronophenyl acetonitrile,boronic acid, 3-cyanomethyl phenyl,3-cyanomethylphenyl boronic acid,boronic acid,b-3-cyanomethyl phenyl,acmc-1cme7 PubChem CID: 2773344 IUPAC Name: [3-(cyanomethyl)phenyl]boronic acid SMILES: OB(O)C1=CC=CC(CC#N)=C1

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Specifications

PubChem CID	2773344
CAS	220616-39-7
Molecular Weight (g/mol)	160.97
MDL Number	MFCD03788026
SMILES	OB(O)C1=CC=CC(CC#N)=C1
Synonym	3-cyanomethylphenylboronic acid,3-cyanomethyl phenyl boronic acid,3-cyanomethyl phenylboronic acid,3-cyanomethyl benzeneboronic acid,3-boronophenyl acetonitrile,boronic acid, 3-cyanomethyl phenyl,3-cyanomethylphenyl boronic acid,boronic acid,b-3-cyanomethyl phenyl,acmc-1cme7
IUPAC Name	[3-(cyanomethyl)phenyl]boronic acid
InChI Key	JFMYJQMAPRBDFF-UHFFFAOYSA-N
Molecular Formula	C8H8BNO2

alpha-Chloro-o-xylene, 99%

CAS: 552-45-4 Molecular Formula: C8H9Cl Molecular Weight (g/mol): 140.61 MDL Number: MFCD00000899 InChI Key: VQRBXYBBGHOGFT-UHFFFAOYSA-N Synonym: 2-methylbenzyl chloride,1-chloromethyl-2-methylbenzene,o-xylyl chloride,alpha-chloro-o-xylene,o-methylbenzyl chloride,o-chloromethyl toluene,benzene, 1-chloromethyl-2-methyl,2-methylbenzylchloride,2-chloromethyl toluene,unii-eqt3v044tw PubChem CID: 11093 IUPAC Name: 1-(chloromethyl)-2-methylbenzene SMILES: CC1=CC=CC=C1CCl

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Specifications

PubChem CID	11093
CAS	552-45-4
Molecular Weight (g/mol)	140.61
MDL Number	MFCD00000899
SMILES	CC1=CC=CC=C1CCl
Synonym	2-methylbenzyl chloride,1-chloromethyl-2-methylbenzene,o-xylyl chloride,alpha-chloro-o-xylene,o-methylbenzyl chloride,o-chloromethyl toluene,benzene, 1-chloromethyl-2-methyl,2-methylbenzylchloride,2-chloromethyl toluene,unii-eqt3v044tw
IUPAC Name	1-(chloromethyl)-2-methylbenzene
InChI Key	VQRBXYBBGHOGFT-UHFFFAOYSA-N
Molecular Formula	C8H9Cl

o-Phenylenediacetonitrile, 99+%

CAS: 613-73-0 Molecular Formula: C10H8N2 Molecular Weight (g/mol): 156.19 MDL Number: MFCD00001905 InChI Key: FWPFXBANOKKNBR-UHFFFAOYSA-N Synonym: 1,2-phenylenediacetonitrile,o-phenylenediacetonitrile,1,2-bis cyanomethyl benzene,o-xylylene dicyanide,2-2-cyanomethyl phenyl acetonitrile,o-benzenediacetonitrile,2,2'-1,2-phenylene diacetonitrile,o-bis cyanomethyl benzene,1,2-benzenediacetonitrile,o-benzendiacetonitrile PubChem CID: 69180 IUPAC Name: 2-[2-(cyanomethyl)phenyl]acetonitrile SMILES: N#CCC1=CC=CC=C1CC#N

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Specifications

PubChem CID	69180
CAS	613-73-0
Molecular Weight (g/mol)	156.19
MDL Number	MFCD00001905
SMILES	N#CCC1=CC=CC=C1CC#N
Synonym	1,2-phenylenediacetonitrile,o-phenylenediacetonitrile,1,2-bis cyanomethyl benzene,o-xylylene dicyanide,2-2-cyanomethyl phenyl acetonitrile,o-benzenediacetonitrile,2,2'-1,2-phenylene diacetonitrile,o-bis cyanomethyl benzene,1,2-benzenediacetonitrile,o-benzendiacetonitrile
IUPAC Name	2-[2-(cyanomethyl)phenyl]acetonitrile
InChI Key	FWPFXBANOKKNBR-UHFFFAOYSA-N
Molecular Formula	C10H8N2

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