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 (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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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

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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

4-Hydroxybenzyl alcohol, 97%

CAS: 623-05-2 Molecular Formula: C₇H₈O₂ Molecular Weight (g/mol): 124.14 InChI Key: BVJSUAQZOZWCKN-UHFFFAOYSA-N Synonym: 4-hydroxybenzyl alcohol,4-hydroxymethyl phenol,p-hydroxybenzyl alcohol,p-methylolphenol,4-methylolphenol,4-hydroxybenzenemethanol,benzenemethanol, 4-hydroxy,p-hydroxymethyl phenol,gastrodigenin,4-hydroxybenzylalcohol PubChem CID: 125 ChEBI: CHEBI:67410 IUPAC Name: 4-(hydroxymethyl)phenol SMILES: C1=CC(=CC=C1CO)O

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PubChem CID	125
CAS	623-05-2
Molecular Weight (g/mol)	124.14
ChEBI	CHEBI:67410
SMILES	C1=CC(=CC=C1CO)O
Synonym	4-hydroxybenzyl alcohol,4-hydroxymethyl phenol,p-hydroxybenzyl alcohol,p-methylolphenol,4-methylolphenol,4-hydroxybenzenemethanol,benzenemethanol, 4-hydroxy,p-hydroxymethyl phenol,gastrodigenin,4-hydroxybenzylalcohol
IUPAC Name	4-(hydroxymethyl)phenol
InChI Key	BVJSUAQZOZWCKN-UHFFFAOYSA-N
Molecular Formula	C₇H₈O₂

(S)-(+)-alpha-Methoxy-alpha-(trifluoromethyl)phenylacetyl chloride, 99%

CAS: 20445-33-4 Molecular Formula: C₁₀H₈ClF₃O₂ Molecular Weight (g/mol): 252.62 MDL Number: MFCD00067105 InChI Key: PAORVUMOXXAMPL-SECBINFHSA-N Synonym: s-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride,+-mtpa-cl,unii-472va70ul4,2s-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride,s-+-alpha-methoxy-alpha-trifluoromethylphenylacetyl chloride,s-+-a-methoxy-a-trifluoromethylphenylacetyl chloride,s-+-alpha-methoxy-alpha-trifluoromethylphenylacetylchloride,s-+-alpha-methoxy-alpha-trifluoromethyl phenylacetyl chloride,+-mtpa chloride,+-mosher's chloride PubChem CID: 2724611 IUPAC Name: (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride SMILES: COC(C1=CC=CC=C1)(C(=O)Cl)C(F)(F)F

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PubChem CID	2724611
CAS	20445-33-4
Molecular Weight (g/mol)	252.62
MDL Number	MFCD00067105
SMILES	COC(C1=CC=CC=C1)(C(=O)Cl)C(F)(F)F
Synonym	s-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride,+-mtpa-cl,unii-472va70ul4,2s-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride,s-+-alpha-methoxy-alpha-trifluoromethylphenylacetyl chloride,s-+-a-methoxy-a-trifluoromethylphenylacetyl chloride,s-+-alpha-methoxy-alpha-trifluoromethylphenylacetylchloride,s-+-alpha-methoxy-alpha-trifluoromethyl phenylacetyl chloride,+-mtpa chloride,+-mosher's chloride
IUPAC Name	(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride
InChI Key	PAORVUMOXXAMPL-SECBINFHSA-N
Molecular Formula	C₁₀H₈ClF₃O₂

3,5-Dichlorobenzyl alcohol, 98%, Thermo Scientific™

CAS: 60211-57-6 Molecular Formula: C₇H₆Cl₂O Molecular Weight (g/mol): 177.03 MDL Number: MFCD00004634 InChI Key: VSNNLLQKDRCKCB-UHFFFAOYSA-N Synonym: 3,5-dichlorobenzyl alcohol,3,5-dichlorophenyl methanol,benzenemethanol, 3,5-dichloro,3,5-dichlorobenzylalcohol,3,5-dichlorobenzylic alcohol,3,5-dichlorobenzenemethanol,3,5-dicholorbenzylalcohol,3,5-dichlorophenyl methan-1-ol,3, 5-dichlorobenzyl alcohol,pubchem4908 PubChem CID: 43236 IUPAC Name: (3,5-dichlorophenyl)methanol SMILES: C1=C(C=C(C=C1Cl)Cl)CO

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PubChem CID	43236
CAS	60211-57-6
Molecular Weight (g/mol)	177.03
MDL Number	MFCD00004634
SMILES	C1=C(C=C(C=C1Cl)Cl)CO
Synonym	3,5-dichlorobenzyl alcohol,3,5-dichlorophenyl methanol,benzenemethanol, 3,5-dichloro,3,5-dichlorobenzylalcohol,3,5-dichlorobenzylic alcohol,3,5-dichlorobenzenemethanol,3,5-dicholorbenzylalcohol,3,5-dichlorophenyl methan-1-ol,3, 5-dichlorobenzyl alcohol,pubchem4908
IUPAC Name	(3,5-dichlorophenyl)methanol
InChI Key	VSNNLLQKDRCKCB-UHFFFAOYSA-N
Molecular Formula	C₇H₆Cl₂O

3-Nitrobenzyl alcohol, 99%

CAS: 619-25-0 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.137 MDL Number: MFCD00007273 InChI Key: CWNPOQFCIIFQDM-UHFFFAOYSA-N Synonym: 3-nitrobenzyl alcohol,3-nitrophenyl methanol,m-nitrobenzyl alcohol,benzenemethanol, 3-nitro,benzyl alcohol, m-nitro,3-nitrobenzenemethanol,unii-f829x990iv,ccris 7971,3-nitrophenyl methan-1-ol,3-nitrobenzylalcohol PubChem CID: 69267 IUPAC Name: (3-nitrophenyl)methanol SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])CO

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Specifications

PubChem CID	69267
CAS	619-25-0
Molecular Weight (g/mol)	153.137
MDL Number	MFCD00007273
SMILES	C1=CC(=CC(=C1)[N+](=O)[O-])CO
Synonym	3-nitrobenzyl alcohol,3-nitrophenyl methanol,m-nitrobenzyl alcohol,benzenemethanol, 3-nitro,benzyl alcohol, m-nitro,3-nitrobenzenemethanol,unii-f829x990iv,ccris 7971,3-nitrophenyl methan-1-ol,3-nitrobenzylalcohol
IUPAC Name	(3-nitrophenyl)methanol
InChI Key	CWNPOQFCIIFQDM-UHFFFAOYSA-N
Molecular Formula	C7H7NO3

3,4-Dichlorophenylacetonitrile, 98%

CAS: 3218-49-3 Molecular Formula: C8H5Cl2N Molecular Weight (g/mol): 186.04 MDL Number: MFCD00001909 InChI Key: QWZNCAFWRZZJMA-UHFFFAOYSA-N Synonym: 3,4-dichlorophenylacetonitrile,2-3,4-dichlorophenyl acetonitrile,3,4-dichlorobenzyl cyanide,3,4-dichlorophenyl acetonitrile,benzeneacetonitrile, 3,4-dichloro,3,4-dichlorobenzeneacetonitrile,2-3,4-dichlorophenyl ethanenitrile,3,4-dichlorphenyl acetonitrile,pubchem16506,3,4-dichlorobenzylcyanide PubChem CID: 76690 IUPAC Name: 2-(3,4-dichlorophenyl)acetonitrile SMILES: ClC1=CC=C(CC#N)C=C1Cl

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Specifications

PubChem CID	76690
CAS	3218-49-3
Molecular Weight (g/mol)	186.04
MDL Number	MFCD00001909
SMILES	ClC1=CC=C(CC#N)C=C1Cl
Synonym	3,4-dichlorophenylacetonitrile,2-3,4-dichlorophenyl acetonitrile,3,4-dichlorobenzyl cyanide,3,4-dichlorophenyl acetonitrile,benzeneacetonitrile, 3,4-dichloro,3,4-dichlorobenzeneacetonitrile,2-3,4-dichlorophenyl ethanenitrile,3,4-dichlorphenyl acetonitrile,pubchem16506,3,4-dichlorobenzylcyanide
IUPAC Name	2-(3,4-dichlorophenyl)acetonitrile
InChI Key	QWZNCAFWRZZJMA-UHFFFAOYSA-N
Molecular Formula	C8H5Cl2N

2-(Bromomethyl)benzeneboronic acid, 97%

CAS: 91983-14-1 Molecular Formula: C7H8BBrO2 Molecular Weight (g/mol): 214.85 MDL Number: MFCD01318941 InChI Key: MYVJCOQGXCONPE-UHFFFAOYSA-N Synonym: 2-bromomethylphenylboronic acid,2-bromomethyl benzeneboronic acid,2-bromomethyl phenylboronic acid,2-bromomethyl phenyl boronic acid,2-bromomethylphenylboronicacid,2-boronobenzyl bromide,o-boronobenzyl bromide,2-bromomethylphenyl boronic acid,pubchem7781 PubChem CID: 2773278 IUPAC Name: [2-(bromomethyl)phenyl]boronic acid SMILES: OB(O)C1=CC=CC=C1CBr

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Specifications

PubChem CID	2773278
CAS	91983-14-1
Molecular Weight (g/mol)	214.85
MDL Number	MFCD01318941
SMILES	OB(O)C1=CC=CC=C1CBr
Synonym	2-bromomethylphenylboronic acid,2-bromomethyl benzeneboronic acid,2-bromomethyl phenylboronic acid,2-bromomethyl phenyl boronic acid,2-bromomethylphenylboronicacid,2-boronobenzyl bromide,o-boronobenzyl bromide,2-bromomethylphenyl boronic acid,pubchem7781
IUPAC Name	[2-(bromomethyl)phenyl]boronic acid
InChI Key	MYVJCOQGXCONPE-UHFFFAOYSA-N
Molecular Formula	C7H8BBrO2

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

4-[4-(Bromomethyl)phenyl]-1,2,3-thiadiazole, 97%, Thermo Scientific™

CAS: 163798-92-3 Molecular Formula: C9H7BrN2S Molecular Weight (g/mol): 255.13 MDL Number: MFCD00052102 InChI Key: DGHQOPZIGDRUIT-UHFFFAOYSA-N Synonym: 4-4-bromomethyl phenyl-1,2,3-thiadiazole,1,2,3-thiadiazole,4-4-bromomethyl phenyl,4-4-bromomethyl phenyl thiadiazole,4-1,2,3-thiadiazol-4-yl benzyl bromide,4-4-bromomethylphenyl-1,2,3-thiadiazole,4-4-bromomethyl-phenyl-1,2,3 thiadiazole PubChem CID: 2776454 IUPAC Name: 4-[4-(bromomethyl)phenyl]thiadiazole SMILES: BrCC1=CC=C(C=C1)C1=CSN=N1

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Specifications

PubChem CID	2776454
CAS	163798-92-3
Molecular Weight (g/mol)	255.13
MDL Number	MFCD00052102
SMILES	BrCC1=CC=C(C=C1)C1=CSN=N1
Synonym	4-4-bromomethyl phenyl-1,2,3-thiadiazole,1,2,3-thiadiazole,4-4-bromomethyl phenyl,4-4-bromomethyl phenyl thiadiazole,4-1,2,3-thiadiazol-4-yl benzyl bromide,4-4-bromomethylphenyl-1,2,3-thiadiazole,4-4-bromomethyl-phenyl-1,2,3 thiadiazole
IUPAC Name	4-[4-(bromomethyl)phenyl]thiadiazole
InChI Key	DGHQOPZIGDRUIT-UHFFFAOYSA-N
Molecular Formula	C9H7BrN2S

2,5-Dimethylbenzyl alcohol, 97+%

CAS: 53957-33-8 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.194 MDL Number: MFCD00004625 InChI Key: LEBQTCCCNMTXSF-UHFFFAOYSA-N PubChem CID: 94560 IUPAC Name: (2,5-dimethylphenyl)methanol SMILES: CC1=CC(=C(C=C1)C)CO

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Specifications

PubChem CID	94560
CAS	53957-33-8
Molecular Weight (g/mol)	136.194
MDL Number	MFCD00004625
SMILES	CC1=CC(=C(C=C1)C)CO
IUPAC Name	(2,5-dimethylphenyl)methanol
InChI Key	LEBQTCCCNMTXSF-UHFFFAOYSA-N
Molecular Formula	C9H12O

2-Fluoro-5-(trifluoromethoxy)benzyl bromide, 97%

CAS: 86256-24-8 Molecular Formula: C8H5BrF4O Molecular Weight (g/mol): 273.025 MDL Number: MFCD04115890 InChI Key: KOISGBFWQAPLFE-UHFFFAOYSA-N Synonym: 2-fluoro-5-trifluoromethoxy benzyl bromide,2-bromomethyl-1-fluoro-4-trifluoromethoxy benzene,1-bromomethyl-2-fluoro-5-trifluoromethoxy benzene PubChem CID: 2783326 IUPAC Name: 2-(bromomethyl)-1-fluoro-4-(trifluoromethoxy)benzene SMILES: C1=CC(=C(C=C1OC(F)(F)F)CBr)F

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Specifications

PubChem CID	2783326
CAS	86256-24-8
Molecular Weight (g/mol)	273.025
MDL Number	MFCD04115890
SMILES	C1=CC(=C(C=C1OC(F)(F)F)CBr)F
Synonym	2-fluoro-5-trifluoromethoxy benzyl bromide,2-bromomethyl-1-fluoro-4-trifluoromethoxy benzene,1-bromomethyl-2-fluoro-5-trifluoromethoxy benzene
IUPAC Name	2-(bromomethyl)-1-fluoro-4-(trifluoromethoxy)benzene
InChI Key	KOISGBFWQAPLFE-UHFFFAOYSA-N
Molecular Formula	C8H5BrF4O

(S)-(-)-alpha-Methoxy-alpha-(trifluoromethyl)phenylacetic acid, 99%

CAS: 17257-71-5 Molecular Formula: C10H8F3O3 Molecular Weight (g/mol): 233.17 MDL Number: MFCD00064200 InChI Key: JJYKJUXBWFATTE-VIFPVBQESA-M Synonym: s---alpha-methoxy-alpha-trifluoromethyl phenylacetic acid,s-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid,--mosher's acid,--mtpa,unii-172hcj1iqv,172hcj1iqv,2s-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid,--alpha-methoxy-alpha-trifluoromethyl phenylacetic acid,s---mtpa,--a-methoxy-a-trifluoromethylphenylacetic acid PubChem CID: 6992788 IUPAC Name: (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid SMILES: CO[C@](C([O-])=O)(C1=CC=CC=C1)C(F)(F)F

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Specifications

PubChem CID	6992788
CAS	17257-71-5
Molecular Weight (g/mol)	233.17
MDL Number	MFCD00064200
SMILES	CO[C@](C([O-])=O)(C1=CC=CC=C1)C(F)(F)F
Synonym	s---alpha-methoxy-alpha-trifluoromethyl phenylacetic acid,s-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid,--mosher's acid,--mtpa,unii-172hcj1iqv,172hcj1iqv,2s-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid,--alpha-methoxy-alpha-trifluoromethyl phenylacetic acid,s---mtpa,--a-methoxy-a-trifluoromethylphenylacetic acid
IUPAC Name	(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid
InChI Key	JJYKJUXBWFATTE-VIFPVBQESA-M
Molecular Formula	C10H8F3O3

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

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Specifications

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

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