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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

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
2

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

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

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

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
4

3,5-Dimethylphenylacetonitrile, 98%

CAS: 39101-54-7 Molecular Formula: C10H11N Molecular Weight (g/mol): 145.205 MDL Number: MFCD00060304 InChI Key: LMUKNQSVBFEUKR-UHFFFAOYSA-N Synonym: 3,5-dimethylphenylacetonitrile,2-3,5-dimethylphenyl acetonitrile,3,5-dimethylphenyl acetonitrile,benzeneacetonitrile, 3,5-dimethyl,3,5-dimethyl-phenyl-acetonitrile,2-3,5-dimethylphenyl ethanenitrile,acmc-20a3vm,3.5-dimethylphenylacetonitril,3,5-dimethylbenzeneacetonitrile,3,5-dimethylphenylethanenitrile PubChem CID: 123481 IUPAC Name: 2-(3,5-dimethylphenyl)acetonitrile SMILES: CC1=CC(=CC(=C1)CC#N)C

PubChem CID 123481
CAS 39101-54-7
Molecular Weight (g/mol) 145.205
MDL Number MFCD00060304
SMILES CC1=CC(=CC(=C1)CC#N)C
Synonym 3,5-dimethylphenylacetonitrile,2-3,5-dimethylphenyl acetonitrile,3,5-dimethylphenyl acetonitrile,benzeneacetonitrile, 3,5-dimethyl,3,5-dimethyl-phenyl-acetonitrile,2-3,5-dimethylphenyl ethanenitrile,acmc-20a3vm,3.5-dimethylphenylacetonitril,3,5-dimethylbenzeneacetonitrile,3,5-dimethylphenylethanenitrile
IUPAC Name 2-(3,5-dimethylphenyl)acetonitrile
InChI Key LMUKNQSVBFEUKR-UHFFFAOYSA-N
Molecular Formula C10H11N
5

Benzaldehyde dimethyl acetal, 99%

CAS: 1125-88-8 Molecular Formula: C9H12O2 Molecular Weight (g/mol): 152.193 MDL Number: MFCD00008491 InChI Key: HEVMDQBCAHEHDY-UHFFFAOYSA-N Synonym: benzaldehyde dimethyl acetal,dimethoxymethyl benzene,alpha,alpha-dimethoxytoluene,dimethoxyphenylmethane,benzene, dimethoxymethyl,benzaldehydedimethylacetal,dimethoxymethyl-benzene,benzaldehyde, dimethyl acetal,benzaldehyde dimethylacetal,unii-w6t83k35ca PubChem CID: 62375 IUPAC Name: dimethoxymethylbenzene SMILES: COC(C1=CC=CC=C1)OC

PubChem CID 62375
CAS 1125-88-8
Molecular Weight (g/mol) 152.193
MDL Number MFCD00008491
SMILES COC(C1=CC=CC=C1)OC
Synonym benzaldehyde dimethyl acetal,dimethoxymethyl benzene,alpha,alpha-dimethoxytoluene,dimethoxyphenylmethane,benzene, dimethoxymethyl,benzaldehydedimethylacetal,dimethoxymethyl-benzene,benzaldehyde, dimethyl acetal,benzaldehyde dimethylacetal,unii-w6t83k35ca
IUPAC Name dimethoxymethylbenzene
InChI Key HEVMDQBCAHEHDY-UHFFFAOYSA-N
Molecular Formula C9H12O2
6

4-Nitrophenylacetonitrile, 98%

CAS: 555-21-5 Molecular Formula: C8H6N2O2 Molecular Weight (g/mol): 162.148 MDL Number: MFCD00007372 InChI Key: PXNJGLAVKOXITN-UHFFFAOYSA-N Synonym: 4-nitrophenylacetonitrile,p-nitrophenylacetonitrile,benzeneacetonitrile, 4-nitro,4-nitrobenzyl cyanide,2-4-nitrophenyl acetonitrile,p-nitrobenzyl cyanide,p-nitrobenzylcyanide,4-nitrobenzeneacetonitrile,acetonitrile, p-nitrophenyl,p-nitrophenyl acetonitrile PubChem CID: 68386 IUPAC Name: 2-(4-nitrophenyl)acetonitrile SMILES: C1=CC(=CC=C1CC#N)[N+](=O)[O-]

PubChem CID 68386
CAS 555-21-5
Molecular Weight (g/mol) 162.148
MDL Number MFCD00007372
SMILES C1=CC(=CC=C1CC#N)[N+](=O)[O-]
Synonym 4-nitrophenylacetonitrile,p-nitrophenylacetonitrile,benzeneacetonitrile, 4-nitro,4-nitrobenzyl cyanide,2-4-nitrophenyl acetonitrile,p-nitrobenzyl cyanide,p-nitrobenzylcyanide,4-nitrobenzeneacetonitrile,acetonitrile, p-nitrophenyl,p-nitrophenyl acetonitrile
IUPAC Name 2-(4-nitrophenyl)acetonitrile
InChI Key PXNJGLAVKOXITN-UHFFFAOYSA-N
Molecular Formula C8H6N2O2
7

Benzyl Alcohol, 99%, Pure

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

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
8

4-Chlorobenzyl alcohol, 99%

CAS: 873-76-7 Molecular Formula: C7H7ClO Molecular Weight (g/mol): 142.58 MDL Number: MFCD00004652 InChI Key: PTHGDVCPCZKZKR-UHFFFAOYSA-N Synonym: 4-chlorobenzyl alcohol,4-chlorophenyl methanol,p-chlorobenzyl alcohol,benzenemethanol, 4-chloro,4-chlorobenzenemethanol,4-chlorobenzylalcohol,benzyl alcohol, p-chloro,4-chlorobenzylic alcohol,unii-gf8bs53b6v,ccris 5120 PubChem CID: 13397 IUPAC Name: (4-chlorophenyl)methanol SMILES: C1=CC(=CC=C1CO)Cl

PubChem CID 13397
CAS 873-76-7
Molecular Weight (g/mol) 142.58
MDL Number MFCD00004652
SMILES C1=CC(=CC=C1CO)Cl
Synonym 4-chlorobenzyl alcohol,4-chlorophenyl methanol,p-chlorobenzyl alcohol,benzenemethanol, 4-chloro,4-chlorobenzenemethanol,4-chlorobenzylalcohol,benzyl alcohol, p-chloro,4-chlorobenzylic alcohol,unii-gf8bs53b6v,ccris 5120
IUPAC Name (4-chlorophenyl)methanol
InChI Key PTHGDVCPCZKZKR-UHFFFAOYSA-N
Molecular Formula C7H7ClO
9

4-Methoxybenzaldehyde dimethyl acetal, 98%

CAS: 2186-92-7 Molecular Formula: C10H14O3 Molecular Weight (g/mol): 182.22 MDL Number: MFCD00036507 InChI Key: NNHYAHOTXLASEA-UHFFFAOYSA-N Synonym: 1-dimethoxymethyl-4-methoxybenzene,p-anisaldehyde dimethyl acetal,anisaldehyde dimethyl acetal,4-methoxybenzaldehyde dimethyl acetal,p-dimethoxymethyl anisole,benzene, 1-dimethoxymethyl-4-methoxy,p-anisaldehydedimethylacetal,unii-xte77a5et4,anisicaldehyde dimethylacetal,p-anisaldehyde dimethylacetal PubChem CID: 75140 IUPAC Name: 1-(dimethoxymethyl)-4-methoxybenzene SMILES: COC(OC)C1=CC=C(OC)C=C1

PubChem CID 75140
CAS 2186-92-7
Molecular Weight (g/mol) 182.22
MDL Number MFCD00036507
SMILES COC(OC)C1=CC=C(OC)C=C1
Synonym 1-dimethoxymethyl-4-methoxybenzene,p-anisaldehyde dimethyl acetal,anisaldehyde dimethyl acetal,4-methoxybenzaldehyde dimethyl acetal,p-dimethoxymethyl anisole,benzene, 1-dimethoxymethyl-4-methoxy,p-anisaldehydedimethylacetal,unii-xte77a5et4,anisicaldehyde dimethylacetal,p-anisaldehyde dimethylacetal
IUPAC Name 1-(dimethoxymethyl)-4-methoxybenzene
InChI Key NNHYAHOTXLASEA-UHFFFAOYSA-N
Molecular Formula C10H14O3
10

4-(Chloromethyl)-1,2-diphenylethane, 98%

CAS: 80676-35-3 Molecular Formula: C15H15Cl Molecular Weight (g/mol): 230.74 MDL Number: MFCD02093918 InChI Key: KPTSLALCCGBCOB-UHFFFAOYSA-N Synonym: 4-chloromethyl dibenzyl,1-chloromethyl-4-phenethylbenzene,4-chloromethyl-1,2-diphenylethane,1-chloromethyl-4-2-phenylethyl benzene,4-chloromethyl bibenzyl,4-phenethylbenzyl chloride PubChem CID: 2733990 IUPAC Name: 1-(chloromethyl)-4-(2-phenylethyl)benzene SMILES: ClCC1=CC=C(CCC2=CC=CC=C2)C=C1

PubChem CID 2733990
CAS 80676-35-3
Molecular Weight (g/mol) 230.74
MDL Number MFCD02093918
SMILES ClCC1=CC=C(CCC2=CC=CC=C2)C=C1
Synonym 4-chloromethyl dibenzyl,1-chloromethyl-4-phenethylbenzene,4-chloromethyl-1,2-diphenylethane,1-chloromethyl-4-2-phenylethyl benzene,4-chloromethyl bibenzyl,4-phenethylbenzyl chloride
IUPAC Name 1-(chloromethyl)-4-(2-phenylethyl)benzene
InChI Key KPTSLALCCGBCOB-UHFFFAOYSA-N
Molecular Formula C15H15Cl
11

4-(Bromomethyl)benzeneboronic acid pinacol ester, 95%

CAS: 138500-85-3 Molecular Formula: C13H18BBrO2 Molecular Weight (g/mol): 297.00 MDL Number: MFCD02179493 InChI Key: CBUOGMOTDGNEAW-UHFFFAOYSA-N Synonym: 2-4-bromomethyl phenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,4-bromomethyl benzeneboronic acid pinacol ester,4-bromomethylphenylboronic acid pinacol ester,4-bromomethylphenylboronic acid, pinacol ester,4-bromomethyl phenylboronic acid pinacol ester,1,3,2-dioxaborolane, 2-4-bromomethyl phenyl-4,4,5,5-tetramethyl,2-4-bromomethyl phenyl-4,4,5,5-tetramethyl-1,3,2-dioxaboronate,4-bromomethyl benzeneboronicacidpinacolester,4-bromomethyl benzeneboronic acid, pinacol ester PubChem CID: 3734506 IUPAC Name: 2-[4-(bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane SMILES: CC1(C)OB(OC1(C)C)C1=CC=C(CBr)C=C1

PubChem CID 3734506
CAS 138500-85-3
Molecular Weight (g/mol) 297.00
MDL Number MFCD02179493
SMILES CC1(C)OB(OC1(C)C)C1=CC=C(CBr)C=C1
Synonym 2-4-bromomethyl phenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,4-bromomethyl benzeneboronic acid pinacol ester,4-bromomethylphenylboronic acid pinacol ester,4-bromomethylphenylboronic acid, pinacol ester,4-bromomethyl phenylboronic acid pinacol ester,1,3,2-dioxaborolane, 2-4-bromomethyl phenyl-4,4,5,5-tetramethyl,2-4-bromomethyl phenyl-4,4,5,5-tetramethyl-1,3,2-dioxaboronate,4-bromomethyl benzeneboronicacidpinacolester,4-bromomethyl benzeneboronic acid, pinacol ester
IUPAC Name 2-[4-(bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI Key CBUOGMOTDGNEAW-UHFFFAOYSA-N
Molecular Formula C13H18BBrO2
12

3-Aminobenzyl alcohol, 97%

CAS: 1877-77-6 Molecular Formula: C7H9NO Molecular Weight (g/mol): 123.16 MDL Number: MFCD00007817 InChI Key: OJZQOQNSUZLSMV-UHFFFAOYSA-N Synonym: 3-aminobenzyl alcohol,3-aminophenyl methanol,m-aminobenzyl alcohol,3-aminobenzylalcohol,3-hydroxymethyl aniline,benzenemethanol, 3-amino,benzyl alcohol, m-amino,3-aminobenzenemethanol,unii-kn96abq0sp,m-aminophenylcarbinol PubChem CID: 80293 IUPAC Name: (3-aminophenyl)methanol SMILES: NC1=CC=CC(CO)=C1

PubChem CID 80293
CAS 1877-77-6
Molecular Weight (g/mol) 123.16
MDL Number MFCD00007817
SMILES NC1=CC=CC(CO)=C1
Synonym 3-aminobenzyl alcohol,3-aminophenyl methanol,m-aminobenzyl alcohol,3-aminobenzylalcohol,3-hydroxymethyl aniline,benzenemethanol, 3-amino,benzyl alcohol, m-amino,3-aminobenzenemethanol,unii-kn96abq0sp,m-aminophenylcarbinol
IUPAC Name (3-aminophenyl)methanol
InChI Key OJZQOQNSUZLSMV-UHFFFAOYSA-N
Molecular Formula C7H9NO
13

3-Fluorobenzyl chloride, 97%

CAS: 456-42-8 Molecular Formula: C7H6ClF Molecular Weight (g/mol): 144.573 MDL Number: MFCD00000904 InChI Key: XBDXMDVEZLOGMC-UHFFFAOYSA-N Synonym: 3-fluorobenzyl chloride,1-chloromethyl-3-fluorobenzene,m-fluorobenzyl chloride,benzene, 1-chloromethyl-3-fluoro,3-fluorobenzylchloride,alpha-chloro-3-fluorotoluene,alpha-chloro-m-fluorotoluene,fluorobenzyl-3 chloride,toluene, .alpha.-chloro-m-fluoro,.alpha.-chloro-m-fluorotoluene PubChem CID: 9974 IUPAC Name: 1-(chloromethyl)-3-fluorobenzene SMILES: C1=CC(=CC(=C1)F)CCl

PubChem CID 9974
CAS 456-42-8
Molecular Weight (g/mol) 144.573
MDL Number MFCD00000904
SMILES C1=CC(=CC(=C1)F)CCl
Synonym 3-fluorobenzyl chloride,1-chloromethyl-3-fluorobenzene,m-fluorobenzyl chloride,benzene, 1-chloromethyl-3-fluoro,3-fluorobenzylchloride,alpha-chloro-3-fluorotoluene,alpha-chloro-m-fluorotoluene,fluorobenzyl-3 chloride,toluene, .alpha.-chloro-m-fluoro,.alpha.-chloro-m-fluorotoluene
IUPAC Name 1-(chloromethyl)-3-fluorobenzene
InChI Key XBDXMDVEZLOGMC-UHFFFAOYSA-N
Molecular Formula C7H6ClF
14

4-Methylbenzyl chloride, 98%

CAS: 104-82-5 Molecular Formula: C8H9Cl Molecular Weight (g/mol): 140.61 MDL Number: MFCD00000919 InChI Key: DMHZDOTYAVHSEH-UHFFFAOYSA-N Synonym: 4-methylbenzyl chloride,p-xylyl chloride,1-chloromethyl-4-methylbenzene,alpha-chloro-p-xylene,p-methylbenzyl chloride,benzene, 1-chloromethyl-4-methyl,p-chloromethyl toluene,4-chloromethyl toluene,p-tolylmethyl chloride,p-xylene, alpha-chloro PubChem CID: 7722 IUPAC Name: 1-(chloromethyl)-4-methylbenzene SMILES: CC1=CC=C(C=C1)CCl

PubChem CID 7722
CAS 104-82-5
Molecular Weight (g/mol) 140.61
MDL Number MFCD00000919
SMILES CC1=CC=C(C=C1)CCl
Synonym 4-methylbenzyl chloride,p-xylyl chloride,1-chloromethyl-4-methylbenzene,alpha-chloro-p-xylene,p-methylbenzyl chloride,benzene, 1-chloromethyl-4-methyl,p-chloromethyl toluene,4-chloromethyl toluene,p-tolylmethyl chloride,p-xylene, alpha-chloro
IUPAC Name 1-(chloromethyl)-4-methylbenzene
InChI Key DMHZDOTYAVHSEH-UHFFFAOYSA-N
Molecular Formula C8H9Cl
15

4-Iodobenzyl bromide, 97%

CAS: 16004-15-2 Molecular Formula: C7H6BrI Molecular Weight (g/mol): 296.93 InChI Key: BQTRMYJYYNQQGK-UHFFFAOYSA-N Synonym: 4-iodobenzyl bromide,1-bromomethyl-4-iodobenzene,4-iodobenzylbromide,p-iodobenzyl bromide,1-bromomethyl-4-iodo-benzene,alpha-bromo-4-iodotoluene,4-bromomethyl-1-iodobenzene,benzene, 1-bromomethyl-4-iodo,4-iodo benzyl bromide PubChem CID: 954258 IUPAC Name: 1-(bromomethyl)-4-iodobenzene SMILES: C1=CC(=CC=C1CBr)I

PubChem CID 954258
CAS 16004-15-2
Molecular Weight (g/mol) 296.93
SMILES C1=CC(=CC=C1CBr)I
Synonym 4-iodobenzyl bromide,1-bromomethyl-4-iodobenzene,4-iodobenzylbromide,p-iodobenzyl bromide,1-bromomethyl-4-iodo-benzene,alpha-bromo-4-iodotoluene,4-bromomethyl-1-iodobenzene,benzene, 1-bromomethyl-4-iodo,4-iodo benzyl bromide
IUPAC Name 1-(bromomethyl)-4-iodobenzene
InChI Key BQTRMYJYYNQQGK-UHFFFAOYSA-N
Molecular Formula C7H6BrI