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

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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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-Hydroxy-3-methoxybenzyl alcohol, 99%

CAS: 498-00-0 Molecular Formula: C8H10O3 Molecular Weight (g/mol): 154.17 MDL Number: MFCD00004659 InChI Key: ZENOXNGFMSCLLL-UHFFFAOYSA-N Synonym: vanillyl alcohol,4-hydroxy-3-methoxybenzyl alcohol,4-hydroxymethyl-2-methoxyphenol,vanillin alcohol,vanillic alcohol,4-hydroxy-3-methoxybenzenemethanol,benzenemethanol, 4-hydroxy-3-methoxy,vanillol,4-hydroxy-3-methoxybenzylalcohol,4-hydroxy-3-methoxyphenylmethanol PubChem CID: 62348 ChEBI: CHEBI:18353 IUPAC Name: 4-(hydroxymethyl)-2-methoxyphenol SMILES: COC1=CC(CO)=CC=C1O

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Specifications

PubChem CID	62348
CAS	498-00-0
Molecular Weight (g/mol)	154.17
ChEBI	CHEBI:18353
MDL Number	MFCD00004659
SMILES	COC1=CC(CO)=CC=C1O
Synonym	vanillyl alcohol,4-hydroxy-3-methoxybenzyl alcohol,4-hydroxymethyl-2-methoxyphenol,vanillin alcohol,vanillic alcohol,4-hydroxy-3-methoxybenzenemethanol,benzenemethanol, 4-hydroxy-3-methoxy,vanillol,4-hydroxy-3-methoxybenzylalcohol,4-hydroxy-3-methoxyphenylmethanol
IUPAC Name	4-(hydroxymethyl)-2-methoxyphenol
InChI Key	ZENOXNGFMSCLLL-UHFFFAOYSA-N
Molecular Formula	C8H10O3

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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Specifications

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

4-Fluorobenzyl chloride, 99%

CAS: 352-11-4 Molecular Formula: C7H6ClF Molecular Weight (g/mol): 144.573 MDL Number: MFCD00000913 InChI Key: IZXWCDITFDNEBY-UHFFFAOYSA-N Synonym: 4-fluorobenzyl chloride,1-chloromethyl-4-fluorobenzene,alpha-chloro-p-fluorotoluene,p-fluorobenzyl chloride,4-fluorobenzylchloride,benzene, 1-chloromethyl-4-fluoro,1-chloromethyl-4-fluoro-benzene,alpha-chloro-4-fluorotoluene,ccris 5107,chloro-4-fluorotoluene PubChem CID: 9602 IUPAC Name: 1-(chloromethyl)-4-fluorobenzene SMILES: C1=CC(=CC=C1CCl)F

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Specifications

PubChem CID	9602
CAS	352-11-4
Molecular Weight (g/mol)	144.573
MDL Number	MFCD00000913
SMILES	C1=CC(=CC=C1CCl)F
Synonym	4-fluorobenzyl chloride,1-chloromethyl-4-fluorobenzene,alpha-chloro-p-fluorotoluene,p-fluorobenzyl chloride,4-fluorobenzylchloride,benzene, 1-chloromethyl-4-fluoro,1-chloromethyl-4-fluoro-benzene,alpha-chloro-4-fluorotoluene,ccris 5107,chloro-4-fluorotoluene
IUPAC Name	1-(chloromethyl)-4-fluorobenzene
InChI Key	IZXWCDITFDNEBY-UHFFFAOYSA-N
Molecular Formula	C7H6ClF

(R)-(+)-2-Benzyloxypropionic acid, 98%

CAS: 100836-85-9 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.203 MDL Number: MFCD06799065 InChI Key: XWAVPOFYNPXXEL-MRVPVSSYSA-N Synonym: r-2-benzyloxy propanoic acid,r-+-2-benzyloxy propionic acid,r-+-2-benzyloxypropionic acid,o-benzyl-d-lactic acid,2r-2-benzyloxy propanoic acid,propanoic acid, 2-phenylmethoxy-, 2r,r-benzyloxypropionic acid,r-2-benzyloxy-propionic acid,2r-2-benzyloxy propionic acid,2r-2-phenylmethoxypropanoic acid PubChem CID: 7000104 IUPAC Name: (2R)-2-phenylmethoxypropanoic acid SMILES: CC(C(=O)O)OCC1=CC=CC=C1

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Specifications

PubChem CID	7000104
CAS	100836-85-9
Molecular Weight (g/mol)	180.203
MDL Number	MFCD06799065
SMILES	CC(C(=O)O)OCC1=CC=CC=C1
Synonym	r-2-benzyloxy propanoic acid,r-+-2-benzyloxy propionic acid,r-+-2-benzyloxypropionic acid,o-benzyl-d-lactic acid,2r-2-benzyloxy propanoic acid,propanoic acid, 2-phenylmethoxy-, 2r,r-benzyloxypropionic acid,r-2-benzyloxy-propionic acid,2r-2-benzyloxy propionic acid,2r-2-phenylmethoxypropanoic acid
IUPAC Name	(2R)-2-phenylmethoxypropanoic acid
InChI Key	XWAVPOFYNPXXEL-MRVPVSSYSA-N
Molecular Formula	C10H12O3

3-(chloromethyl)benzoyl chloride, 98%

CAS: 63024-77-1 Molecular Formula: C₈H₆Cl₂O Molecular Weight (g/mol): 189.04 MDL Number: MFCD00000682 InChI Key: YCAIYRWHKSJKEB-UHFFFAOYSA-N Synonym: 3-chloromethyl benzoyl chloride,3-chloromethyl benzoylchloride,3-chloromethyl-benzoyl chloride,benzoyl chloride, 3-chloromethyl,pubchem16448,3-chlormethylbenzoylchloride,3-chloromethylbenzoylchloride,acmc-1b65n PubChem CID: 2733324 IUPAC Name: 3-(chloromethyl)benzoyl chloride SMILES: C1=CC(=CC(=C1)CCl)C(=O)Cl

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Specifications

PubChem CID	2733324
CAS	63024-77-1
Molecular Weight (g/mol)	189.04
MDL Number	MFCD00000682
SMILES	C1=CC(=CC(=C1)CCl)C(=O)Cl
Synonym	3-chloromethyl benzoyl chloride,3-chloromethyl benzoylchloride,3-chloromethyl-benzoyl chloride,benzoyl chloride, 3-chloromethyl,pubchem16448,3-chlormethylbenzoylchloride,3-chloromethylbenzoylchloride,acmc-1b65n
IUPAC Name	3-(chloromethyl)benzoyl chloride
InChI Key	YCAIYRWHKSJKEB-UHFFFAOYSA-N
Molecular Formula	C₈H₆Cl₂O

4-(Hydroxymethyl)benzeneboronic acid pinacol ester

CAS: 302348-51-2 Molecular Formula: C13H19BO3 Molecular Weight (g/mol): 234.102 MDL Number: MFCD09837617 InChI Key: GZZBZWITJNATOD-UHFFFAOYSA-N Synonym: 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl methanol,4-hydroxymethyl phenylboronic acid pinacol ester,4-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl methanol,4-hydroxymethylphenylboronic acid pinacol ester,4-hydroxymethyl benzeneboronic acid pinacol ester,2-4-hydroxymethyl phenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,benzenemethanol, 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzyl alcohol,amtb135 PubChem CID: 11402050 IUPAC Name: [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CO

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Specifications

PubChem CID	11402050
CAS	302348-51-2
Molecular Weight (g/mol)	234.102
MDL Number	MFCD09837617
SMILES	B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CO
Synonym	4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl methanol,4-hydroxymethyl phenylboronic acid pinacol ester,4-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl methanol,4-hydroxymethylphenylboronic acid pinacol ester,4-hydroxymethyl benzeneboronic acid pinacol ester,2-4-hydroxymethyl phenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,benzenemethanol, 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzyl alcohol,amtb135
IUPAC Name	[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol
InChI Key	GZZBZWITJNATOD-UHFFFAOYSA-N
Molecular Formula	C13H19BO3

(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

2-chlorobenzyl bromide, 97%

CAS: 611-17-6 Molecular Formula: C₇H₇BrCl Molecular Weight (g/mol): 205.49 MDL Number: MFCD00000566 InChI Key: PURSZYWBIQIANP-UHFFFAOYSA-N Synonym: 2-chlorobenzyl bromide,1-bromomethyl-2-chlorobenzene,o-chlorobenzyl bromide,2-chlorobenzylbromide,benzene, 1-bromomethyl-2-chloro,alpha-bromo-2-chlorotoluene,unii-cev23h8uv4,2chlorobenzyl bromide,alpha-bromo-o-chlorotoluene,cev23h8uv4 PubChem CID: 11905 IUPAC Name: 1-(bromomethyl)-2-chlorobenzene SMILES: C1=CC=C(C(=C1)CBr)Cl

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Specifications

PubChem CID	11905
CAS	611-17-6
Molecular Weight (g/mol)	205.49
MDL Number	MFCD00000566
SMILES	C1=CC=C(C(=C1)CBr)Cl
Synonym	2-chlorobenzyl bromide,1-bromomethyl-2-chlorobenzene,o-chlorobenzyl bromide,2-chlorobenzylbromide,benzene, 1-bromomethyl-2-chloro,alpha-bromo-2-chlorotoluene,unii-cev23h8uv4,2chlorobenzyl bromide,alpha-bromo-o-chlorotoluene,cev23h8uv4
IUPAC Name	1-(bromomethyl)-2-chlorobenzene
InChI Key	PURSZYWBIQIANP-UHFFFAOYSA-N
Molecular Formula	C₇H₇BrCl

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

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Specifications

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

(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

4-Benzyloxy-3-methoxybenzyl alcohol, 98%, Thermo Scientific Chemicals

CAS: 33693-48-0 Molecular Formula: C15H16O3 Molecular Weight (g/mol): 244.29 MDL Number: MFCD00004640 InChI Key: PDBXFVPMVYQICB-UHFFFAOYSA-N Synonym: 4-benzyloxy-3-methoxybenzyl alcohol,4-benzyloxy-3-methoxyphenyl methanol,4-benzyloxy-3-methoxybenzylalcohol,benzenemethanol, 3-methoxy-4-phenylmethoxy,acmc-20amos,o-benzylvanillyl alcohol,4-o-benzyl vanillyl alcohol,vanillyl alcohol benzyl ether PubChem CID: 98832 IUPAC Name: (3-methoxy-4-phenylmethoxyphenyl)methanol SMILES: COC1=C(C=CC(=C1)CO)OCC2=CC=CC=C2

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Specifications

PubChem CID	98832
CAS	33693-48-0
Molecular Weight (g/mol)	244.29
MDL Number	MFCD00004640
SMILES	COC1=C(C=CC(=C1)CO)OCC2=CC=CC=C2
Synonym	4-benzyloxy-3-methoxybenzyl alcohol,4-benzyloxy-3-methoxyphenyl methanol,4-benzyloxy-3-methoxybenzylalcohol,benzenemethanol, 3-methoxy-4-phenylmethoxy,acmc-20amos,o-benzylvanillyl alcohol,4-o-benzyl vanillyl alcohol,vanillyl alcohol benzyl ether
IUPAC Name	(3-methoxy-4-phenylmethoxyphenyl)methanol
InChI Key	PDBXFVPMVYQICB-UHFFFAOYSA-N
Molecular Formula	C15H16O3

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

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