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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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

Trimethyl orthobenzoate, 98%

CAS: 707-07-3 Molecular Formula: C10H14O3 Molecular Weight (g/mol): 182.219 MDL Number: MFCD00008474 InChI Key: IECKAVQTURBPON-UHFFFAOYSA-N Synonym: trimethyl orthobenzoate,trimethoxymethyl benzene,methyl orthobenzoate,benzene, trimethoxymethyl,trimethylorthobenzoate,orthobenzoic acid, trimethyl ester,orthobenzoic acid trimethyl ester,alpha,alpha,alpha-trimethoxytoluene,trimethoxyphenylmethane,trimethyl orthobeznoate PubChem CID: 69720 IUPAC Name: trimethoxymethylbenzene SMILES: COC(C1=CC=CC=C1)(OC)OC

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PubChem CID	69720
CAS	707-07-3
Molecular Weight (g/mol)	182.219
MDL Number	MFCD00008474
SMILES	COC(C1=CC=CC=C1)(OC)OC
Synonym	trimethyl orthobenzoate,trimethoxymethyl benzene,methyl orthobenzoate,benzene, trimethoxymethyl,trimethylorthobenzoate,orthobenzoic acid, trimethyl ester,orthobenzoic acid trimethyl ester,alpha,alpha,alpha-trimethoxytoluene,trimethoxyphenylmethane,trimethyl orthobeznoate
IUPAC Name	trimethoxymethylbenzene
InChI Key	IECKAVQTURBPON-UHFFFAOYSA-N
Molecular Formula	C10H14O3

3-Methoxybenzyl alcohol, 97+%

CAS: 6971-51-3 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.166 MDL Number: MFCD00004637 InChI Key: IIGNZLVHOZEOPV-UHFFFAOYSA-N Synonym: 3-methoxybenzyl alcohol,3-methoxyphenyl methanol,m-methoxybenzyl alcohol,3-methoxybenzylalcohol,m-anisyl alcohol,3-anise alcohol,3-anisyl alcohol,benzenemethanol, 3-methoxy,unii-i1xc3698n5,3-methoxyphenyl methan-1-ol PubChem CID: 81437 ChEBI: CHEBI:1580 IUPAC Name: (3-methoxyphenyl)methanol SMILES: COC1=CC=CC(=C1)CO

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Specifications

PubChem CID	81437
CAS	6971-51-3
Molecular Weight (g/mol)	138.166
ChEBI	CHEBI:1580
MDL Number	MFCD00004637
SMILES	COC1=CC=CC(=C1)CO
Synonym	3-methoxybenzyl alcohol,3-methoxyphenyl methanol,m-methoxybenzyl alcohol,3-methoxybenzylalcohol,m-anisyl alcohol,3-anise alcohol,3-anisyl alcohol,benzenemethanol, 3-methoxy,unii-i1xc3698n5,3-methoxyphenyl methan-1-ol
IUPAC Name	(3-methoxyphenyl)methanol
InChI Key	IIGNZLVHOZEOPV-UHFFFAOYSA-N
Molecular Formula	C8H10O2

(S)-(+)-1-Benzyloxy-2-propanol, 96%

CAS: 85483-97-2 Molecular Formula: C10H14O2 Molecular Weight (g/mol): 166.22 MDL Number: MFCD07367008 InChI Key: KJBPYIUAQLPHJG-VIFPVBQESA-N Synonym: s-+-1-benzyloxy-2-propanol,s-1-benzyloxy propan-2-ol,2s-1-benzyloxypropan-2-ol,2s-1-benzyloxy propan-2-ol,2-propanol, 1-phenylmethoxy-, 2s,2-propanol,1-phenylmethoxy-, 2s,s-1-o-benzylpropylene glycol,s-1-benzyloxy-2-hydroxypropane,2s-1-benzyloxy-2-propanol,+-s-1-benzyloxy-2-propanol PubChem CID: 13197475 IUPAC Name: (2S)-1-phenylmethoxypropan-2-ol SMILES: CC(COCC1=CC=CC=C1)O

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PubChem CID	13197475
CAS	85483-97-2
Molecular Weight (g/mol)	166.22
MDL Number	MFCD07367008
SMILES	CC(COCC1=CC=CC=C1)O
Synonym	s-+-1-benzyloxy-2-propanol,s-1-benzyloxy propan-2-ol,2s-1-benzyloxypropan-2-ol,2s-1-benzyloxy propan-2-ol,2-propanol, 1-phenylmethoxy-, 2s,2-propanol,1-phenylmethoxy-, 2s,s-1-o-benzylpropylene glycol,s-1-benzyloxy-2-hydroxypropane,2s-1-benzyloxy-2-propanol,+-s-1-benzyloxy-2-propanol
IUPAC Name	(2S)-1-phenylmethoxypropan-2-ol
InChI Key	KJBPYIUAQLPHJG-VIFPVBQESA-N
Molecular Formula	C10H14O2

Ethyl 4-(bromomethyl)benzoate, 96%

CAS: 26496-94-6 Molecular Formula: C10H11BrO2 Molecular Weight (g/mol): 243.10 MDL Number: MFCD03791307 InChI Key: TWQLMAJROCNXEA-UHFFFAOYSA-N Synonym: ethyl 4-bromomethyl benzoate,4-bromomethyl benzoic acid ethyl ester,4-bromomethyl-benzoic acid ethyl ester,4-ethoxycarbonylbenzyl bromide,benzoic acid, 4-bromomethyl-, ethyl ester,zlchem 925,acmc-1cknv,4-carboethoxy-benzylbromide,4-carboethoxybenzyl bromide,ethyl 4-bromomethyl-benzoate PubChem CID: 954261 IUPAC Name: ethyl 4-(bromomethyl)benzoate SMILES: CCOC(=O)C1=CC=C(CBr)C=C1

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Specifications

PubChem CID	954261
CAS	26496-94-6
Molecular Weight (g/mol)	243.10
MDL Number	MFCD03791307
SMILES	CCOC(=O)C1=CC=C(CBr)C=C1
Synonym	ethyl 4-bromomethyl benzoate,4-bromomethyl benzoic acid ethyl ester,4-bromomethyl-benzoic acid ethyl ester,4-ethoxycarbonylbenzyl bromide,benzoic acid, 4-bromomethyl-, ethyl ester,zlchem 925,acmc-1cknv,4-carboethoxy-benzylbromide,4-carboethoxybenzyl bromide,ethyl 4-bromomethyl-benzoate
IUPAC Name	ethyl 4-(bromomethyl)benzoate
InChI Key	TWQLMAJROCNXEA-UHFFFAOYSA-N
Molecular Formula	C10H11BrO2

3-chloro-5-fluorobenzyl Bromide, 97%, Thermo Scientific™

CAS: 493024-39-8 Molecular Formula: C7H5BrClF Molecular Weight (g/mol): 223.47 MDL Number: MFCD03788472 InChI Key: PKSAHOPFPPAUOD-UHFFFAOYSA-N Synonym: 3-chloro-5-fluorobenzyl bromide,1-bromomethyl-3-chloro-5-fluorobenzene,3-chloro-5-fluorobenzylbromide,5-chloro-3-fluorobenzyl bromide,benzene, 1-bromomethyl-3-chloro-5-fluoro,5-bromomethyl-3-chloro-1-fluorobenzene,alpha-bromo-3-chloro-5-fluorotoluene,pubchem4896,acmc-209kfr,1-bromomethyl-3-chloro-5-fluoro-benzene PubChem CID: 2734834 IUPAC Name: 1-(bromomethyl)-3-chloro-5-fluorobenzene SMILES: FC1=CC(Cl)=CC(CBr)=C1

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Specifications

PubChem CID	2734834
CAS	493024-39-8
Molecular Weight (g/mol)	223.47
MDL Number	MFCD03788472
SMILES	FC1=CC(Cl)=CC(CBr)=C1
Synonym	3-chloro-5-fluorobenzyl bromide,1-bromomethyl-3-chloro-5-fluorobenzene,3-chloro-5-fluorobenzylbromide,5-chloro-3-fluorobenzyl bromide,benzene, 1-bromomethyl-3-chloro-5-fluoro,5-bromomethyl-3-chloro-1-fluorobenzene,alpha-bromo-3-chloro-5-fluorotoluene,pubchem4896,acmc-209kfr,1-bromomethyl-3-chloro-5-fluoro-benzene
IUPAC Name	1-(bromomethyl)-3-chloro-5-fluorobenzene
InChI Key	PKSAHOPFPPAUOD-UHFFFAOYSA-N
Molecular Formula	C7H5BrClF

Benzyl 2-bromoethyl ether, 97%

CAS: 1462-37-9 Molecular Formula: C9H11BrO Molecular Weight (g/mol): 215.09 MDL Number: MFCD01321307 InChI Key: FWOHDAGPWDEWIB-UHFFFAOYSA-N Synonym: benzyl 2-bromoethyl ether,2-bromoethoxy methyl benzene,2-benzyloxy-1-bromoethane,benzyloxyethyl bromide,benzene, 2-bromoethoxy methyl,1-bromo-2-benzyloxyethane,2-bromoethoxymethyl benzene,2-bromo-ethoxymethyl-benzene PubChem CID: 73833 IUPAC Name: 2-bromoethoxymethylbenzene SMILES: C1=CC=C(C=C1)COCCBr

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Specifications

PubChem CID	73833
CAS	1462-37-9
Molecular Weight (g/mol)	215.09
MDL Number	MFCD01321307
SMILES	C1=CC=C(C=C1)COCCBr
Synonym	benzyl 2-bromoethyl ether,2-bromoethoxy methyl benzene,2-benzyloxy-1-bromoethane,benzyloxyethyl bromide,benzene, 2-bromoethoxy methyl,1-bromo-2-benzyloxyethane,2-bromoethoxymethyl benzene,2-bromo-ethoxymethyl-benzene
IUPAC Name	2-bromoethoxymethylbenzene
InChI Key	FWOHDAGPWDEWIB-UHFFFAOYSA-N
Molecular Formula	C9H11BrO

4-Bromomethyl-2-fluorobenzeneboronic acid pinacol ester, 96%

CAS: 1029439-49-3 Molecular Formula: C13H17BBrFO2 Molecular Weight (g/mol): 314.989 MDL Number: MFCD18434471 InChI Key: QOCYLABQSVWXGE-UHFFFAOYSA-N Synonym: 2-4-bromomethyl-2-fluorophenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,4-bromomethyl-2-fluorophenylboronic acid pinacol ester,4-bromomethyl-2-fluorobenzeneboronic acid pinacol ester,4-bromomethyl-2-fluorophenyl boronic acid pinacol ester PubChem CID: 53217331 IUPAC Name: 2-[4-(bromomethyl)-2-fluorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane SMILES: B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)CBr)F

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PubChem CID	53217331
CAS	1029439-49-3
Molecular Weight (g/mol)	314.989
MDL Number	MFCD18434471
SMILES	B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)CBr)F
Synonym	2-4-bromomethyl-2-fluorophenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,4-bromomethyl-2-fluorophenylboronic acid pinacol ester,4-bromomethyl-2-fluorobenzeneboronic acid pinacol ester,4-bromomethyl-2-fluorophenyl boronic acid pinacol ester
IUPAC Name	2-[4-(bromomethyl)-2-fluorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI Key	QOCYLABQSVWXGE-UHFFFAOYSA-N
Molecular Formula	C13H17BBrFO2

4-Bromomethylbenzenesulfonyl chloride, 95%

CAS: 66176-39-4 Molecular Formula: C₇H₆BrClO₂S Molecular Weight (g/mol): 269.55 MDL Number: MFCD00156129 InChI Key: QXTQWYZHHMQSQH-UHFFFAOYSA-N Synonym: 4-bromomethyl benzenesulfonyl chloride,4-bromomethyl benzene-1-sulfonyl chloride,4-bromomethyl benzenesulfonylchloride,alpha-bromo-p-toluenesulphonyl chloride,alpha-bromo-p-toluenesulfonyl chloride,4-bromomethyl benzenesulphonyl chloride,4-bromomethyl benzene-1-sulfonylchloride,buttpark 94\04-08,4-bromomethyl phenyl chlorosulfone,4-bromomethylene benzenesulfonyl chloride PubChem CID: 2734409 IUPAC Name: 4-(bromomethyl)benzenesulfonyl chloride SMILES: C1=CC(=CC=C1CBr)S(=O)(=O)Cl

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Specifications

PubChem CID	2734409
CAS	66176-39-4
Molecular Weight (g/mol)	269.55
MDL Number	MFCD00156129
SMILES	C1=CC(=CC=C1CBr)S(=O)(=O)Cl
Synonym	4-bromomethyl benzenesulfonyl chloride,4-bromomethyl benzene-1-sulfonyl chloride,4-bromomethyl benzenesulfonylchloride,alpha-bromo-p-toluenesulphonyl chloride,alpha-bromo-p-toluenesulfonyl chloride,4-bromomethyl benzenesulphonyl chloride,4-bromomethyl benzene-1-sulfonylchloride,buttpark 94\04-08,4-bromomethyl phenyl chlorosulfone,4-bromomethylene benzenesulfonyl chloride
IUPAC Name	4-(bromomethyl)benzenesulfonyl chloride
InChI Key	QXTQWYZHHMQSQH-UHFFFAOYSA-N
Molecular Formula	C₇H₆BrClO₂S

(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

alpha-Bromo-2,3,4,5,6-pentafluorotoluene, 97%

CAS: 1765-40-8 MDL Number: MFCD00000299 InChI Key: XDEPVFFKOVDUNO-UHFFFAOYSA-N Synonym: 2,3,4,5,6-pentafluorobenzyl bromide,pentafluorobenzyl bromide,1-bromomethyl-2,3,4,5,6-pentafluorobenzene,1-bromomethylpentafluorobenzene,alpha-bromo-2,3,4,5,6-pentafluorotoluene,bromomethyl pentafluorobenzene,benzene, bromomethyl pentafluoro,2,3,4,5,6-pentafluorobenzylbromide,pfbbr,pentafluorobenzylbromide PubChem CID: 74484 IUPAC Name: 1-(bromomethyl)-2,3,4,5,6-pentafluorobenzene SMILES: C(C1=C(C(=C(C(=C1F)F)F)F)F)Br

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PubChem CID	74484
CAS	1765-40-8
MDL Number	MFCD00000299
SMILES	C(C1=C(C(=C(C(=C1F)F)F)F)F)Br
Synonym	2,3,4,5,6-pentafluorobenzyl bromide,pentafluorobenzyl bromide,1-bromomethyl-2,3,4,5,6-pentafluorobenzene,1-bromomethylpentafluorobenzene,alpha-bromo-2,3,4,5,6-pentafluorotoluene,bromomethyl pentafluorobenzene,benzene, bromomethyl pentafluoro,2,3,4,5,6-pentafluorobenzylbromide,pfbbr,pentafluorobenzylbromide
IUPAC Name	1-(bromomethyl)-2,3,4,5,6-pentafluorobenzene
InChI Key	XDEPVFFKOVDUNO-UHFFFAOYSA-N

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

4-Methoxybenzylchloride, 98%, stabilized

CAS: 824-94-2 Molecular Formula: C₈H₉ClO Molecular Weight (g/mol): 156.61 MDL Number: MFCD00000915 InChI Key: MOHYOXXOKFQHDC-UHFFFAOYSA-N Synonym: 4-methoxybenzyl chloride,4-methoxybenzylchloride,1-chloromethyl-4-methoxybenzene,p-methoxybenzyl chloride,p-anisyl chloride,alpha-chloro-4-methoxytoluene,p-chloromethyl anisole,benzene, 1-chloromethyl-4-methoxy,4-chloromethyl anisole,anisole, p-chloromethyl PubChem CID: 69993 IUPAC Name: 1-(chloromethyl)-4-methoxybenzene SMILES: COC1=CC=C(C=C1)CCl

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Specifications

PubChem CID	69993
CAS	824-94-2
Molecular Weight (g/mol)	156.61
MDL Number	MFCD00000915
SMILES	COC1=CC=C(C=C1)CCl
Synonym	4-methoxybenzyl chloride,4-methoxybenzylchloride,1-chloromethyl-4-methoxybenzene,p-methoxybenzyl chloride,p-anisyl chloride,alpha-chloro-4-methoxytoluene,p-chloromethyl anisole,benzene, 1-chloromethyl-4-methoxy,4-chloromethyl anisole,anisole, p-chloromethyl
IUPAC Name	1-(chloromethyl)-4-methoxybenzene
InChI Key	MOHYOXXOKFQHDC-UHFFFAOYSA-N
Molecular Formula	C₈H₉ClO

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