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

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

Dibenzyl ether, 98+%

CAS: 103-50-4 Molecular Formula: C14H14O Molecular Weight (g/mol): 198.265 MDL Number: MFCD00004780 InChI Key: MHDVGSVTJDSBDK-UHFFFAOYSA-N Synonym: dibenzyl ether,benzyl ether,benzyl oxide,dibenzylether,oxybis methylene dibenzene,plastikator ba,ba plasticizer,benzylether,ether, dibenzyl,plasticator ba PubChem CID: 7657 ChEBI: CHEBI:87411 IUPAC Name: phenylmethoxymethylbenzene SMILES: C1=CC=C(C=C1)COCC2=CC=CC=C2

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Specifications

PubChem CID	7657
CAS	103-50-4
Molecular Weight (g/mol)	198.265
ChEBI	CHEBI:87411
MDL Number	MFCD00004780
SMILES	C1=CC=C(C=C1)COCC2=CC=CC=C2
Synonym	dibenzyl ether,benzyl ether,benzyl oxide,dibenzylether,oxybis methylene dibenzene,plastikator ba,ba plasticizer,benzylether,ether, dibenzyl,plasticator ba
IUPAC Name	phenylmethoxymethylbenzene
InChI Key	MHDVGSVTJDSBDK-UHFFFAOYSA-N
Molecular Formula	C14H14O

LiChropur™ (S)-(+)-α-Methoxy-α-(trifluoromethyl)phenylacetyl chloride, 99.0%, MilliporeSigma™ Supelco™

CAS: 20445-33-4 Molecular Formula: C10H8ClF3O2 Molecular Weight (g/mol): 252.62 MDL Number: MFCD00067105 InChI Key: PAORVUMOXXAMPL-SECBINFHSA-N Synonym: (S)-(+)-MTPA-Cl; Mosher's acid chloride IUPAC Name: (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride SMILES: CO[C@@](C(Cl)=O)(C1=CC=CC=C1)C(F)(F)F

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CAS	20445-33-4
Molecular Weight (g/mol)	252.62
MDL Number	MFCD00067105
SMILES	CO[C@@](C(Cl)=O)(C1=CC=CC=C1)C(F)(F)F
Synonym	(S)-(+)-MTPA-Cl; Mosher's acid chloride
IUPAC Name	(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride
InChI Key	PAORVUMOXXAMPL-SECBINFHSA-N
Molecular Formula	C10H8ClF3O2

LiChropur™ ™-(-)-α-Methoxy-α-(trifluoromethyl)phenylacetyl chloride, 99.0%, MilliporeSigma™ Supelco™

Molecular Formula: C10H8ClF3O2 Molecular Weight (g/mol): 252.62 MDL Number: MFCD00044400 InChI Key: PAORVUMOXXAMPL-VIFPVBQESA-N Synonym: (R)-(-)-MTPA-Cl; Mosher's acid chloride IUPAC Name: (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride SMILES: CO[C@](C(Cl)=O)(C1=CC=CC=C1)C(F)(F)F

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Specifications

Molecular Weight (g/mol)	252.62
MDL Number	MFCD00044400
SMILES	CO[C@](C(Cl)=O)(C1=CC=CC=C1)C(F)(F)F
Synonym	(R)-(-)-MTPA-Cl; Mosher's acid chloride
IUPAC Name	(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride
InChI Key	PAORVUMOXXAMPL-VIFPVBQESA-N
Molecular Formula	C10H8ClF3O2

Benzyl bromide, 99%

CAS: 100-39-0 Molecular Formula: C7H7Br Molecular Weight (g/mol): 171.037 MDL Number: MFCD00000172 InChI Key: AGEZXYOZHKGVCM-UHFFFAOYSA-N Synonym: benzyl bromide,bromomethyl benzene,alpha-bromotoluene,bromophenylmethane,benzene, bromomethyl,phenylmethyl bromide,1-bromotoluene,benzylbromide,cyclite PubChem CID: 7498 ChEBI: CHEBI:59858 IUPAC Name: bromomethylbenzene SMILES: C1=CC=C(C=C1)CBr

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Specifications

PubChem CID	7498
CAS	100-39-0
Molecular Weight (g/mol)	171.037
ChEBI	CHEBI:59858
MDL Number	MFCD00000172
SMILES	C1=CC=C(C=C1)CBr
Synonym	benzyl bromide,bromomethyl benzene,alpha-bromotoluene,bromophenylmethane,benzene, bromomethyl,phenylmethyl bromide,1-bromotoluene,benzylbromide,cyclite
IUPAC Name	bromomethylbenzene
InChI Key	AGEZXYOZHKGVCM-UHFFFAOYSA-N
Molecular Formula	C7H7Br

4-Hydroxy-3,5-dimethoxybenzyl alcohol, 97%

CAS: 530-56-3 Molecular Formula: C9H12O4 Molecular Weight (g/mol): 184.191 MDL Number: MFCD00016871 InChI Key: LUOAEJWSKPQLJD-UHFFFAOYSA-N Synonym: 4-hydroxy-3,5-dimethoxybenzyl alcohol,4-hydroxymethyl-2,6-dimethoxyphenol,syringyl alcohol,syringic alcohol,3,5-dimethoxy-4-hydroxybenzyl alcohol,unii-k7g66i59xc,benzenemethanol, 4-hydroxy-3,5-dimethoxy,2,6-dimethoxy-4-hydroxymethyl phenol,4-hydroxymethyl-2,6-dimethoxy-phenol,3,5-dimethoxy-4-hydroxybenzylalcohol PubChem CID: 10741 ChEBI: CHEBI:86948 IUPAC Name: 4-(hydroxymethyl)-2,6-dimethoxyphenol SMILES: COC1=CC(=CC(=C1O)OC)CO

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Specifications

PubChem CID	10741
CAS	530-56-3
Molecular Weight (g/mol)	184.191
ChEBI	CHEBI:86948
MDL Number	MFCD00016871
SMILES	COC1=CC(=CC(=C1O)OC)CO
Synonym	4-hydroxy-3,5-dimethoxybenzyl alcohol,4-hydroxymethyl-2,6-dimethoxyphenol,syringyl alcohol,syringic alcohol,3,5-dimethoxy-4-hydroxybenzyl alcohol,unii-k7g66i59xc,benzenemethanol, 4-hydroxy-3,5-dimethoxy,2,6-dimethoxy-4-hydroxymethyl phenol,4-hydroxymethyl-2,6-dimethoxy-phenol,3,5-dimethoxy-4-hydroxybenzylalcohol
IUPAC Name	4-(hydroxymethyl)-2,6-dimethoxyphenol
InChI Key	LUOAEJWSKPQLJD-UHFFFAOYSA-N
Molecular Formula	C9H12O4

p-Xylylene dibromide, 97%

CAS: 623-24-5 Molecular Formula: C8H8Br2 Molecular Weight (g/mol): 263.96 MDL Number: MFCD00000182 InChI Key: RBZMSGOBSOCYHR-UHFFFAOYSA-N Synonym: 1,4-bis bromomethyl benzene,p-xylylene dibromide,alpha,alpha'-dibromo-p-xylene,benzene, 1,4-bis bromomethyl,p-xylylene bromide,p-bromomethyl benzene,1,4-dibromomethylbenzene,p-bis bromomethyl benzene,1,4-bis-bromomethyl-benzene,ccris 1775 PubChem CID: 69335 IUPAC Name: 1,4-bis(bromomethyl)benzene SMILES: C1=CC(=CC=C1CBr)CBr

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Specifications

PubChem CID	69335
CAS	623-24-5
Molecular Weight (g/mol)	263.96
MDL Number	MFCD00000182
SMILES	C1=CC(=CC=C1CBr)CBr
Synonym	1,4-bis bromomethyl benzene,p-xylylene dibromide,alpha,alpha'-dibromo-p-xylene,benzene, 1,4-bis bromomethyl,p-xylylene bromide,p-bromomethyl benzene,1,4-dibromomethylbenzene,p-bis bromomethyl benzene,1,4-bis-bromomethyl-benzene,ccris 1775
IUPAC Name	1,4-bis(bromomethyl)benzene
InChI Key	RBZMSGOBSOCYHR-UHFFFAOYSA-N
Molecular Formula	C8H8Br2

3,5-Dimethylbenzyl bromide, 98%

CAS: 27129-86-8 Molecular Formula: C9H11Br Molecular Weight (g/mol): 199.091 MDL Number: MFCD00013539 InChI Key: QXDHXCVJGBTQMK-UHFFFAOYSA-N Synonym: 3,5-dimethylbenzyl bromide,1-bromomethyl-3,5-dimethylbenzene,3,5-dimethylbenzylbromide,alpha-bromomesitylene,benzene, 1-bromomethyl-3,5-dimethyl,.alpha.-bromomesitylene,5-bromomethyl-1,3-dimethylbenzene,a-bromomesitylene,pubchem9979,3,5dimethylbenzyl bromide PubChem CID: 141334 IUPAC Name: 1-(bromomethyl)-3,5-dimethylbenzene SMILES: CC1=CC(=CC(=C1)CBr)C

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Specifications

PubChem CID	141334
CAS	27129-86-8
Molecular Weight (g/mol)	199.091
MDL Number	MFCD00013539
SMILES	CC1=CC(=CC(=C1)CBr)C
Synonym	3,5-dimethylbenzyl bromide,1-bromomethyl-3,5-dimethylbenzene,3,5-dimethylbenzylbromide,alpha-bromomesitylene,benzene, 1-bromomethyl-3,5-dimethyl,.alpha.-bromomesitylene,5-bromomethyl-1,3-dimethylbenzene,a-bromomesitylene,pubchem9979,3,5dimethylbenzyl bromide
IUPAC Name	1-(bromomethyl)-3,5-dimethylbenzene
InChI Key	QXDHXCVJGBTQMK-UHFFFAOYSA-N
Molecular Formula	C9H11Br

3-Methoxyphenylacetonitrile, 99%

CAS: 19924-43-7 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.177 MDL Number: MFCD00001910 InChI Key: LXKNAUOWEJWGTE-UHFFFAOYSA-N Synonym: 3-methoxyphenyl acetonitrile,2-3-methoxyphenyl acetonitrile,3-methoxyphenylacetonitrile,3-methoxybenzyl cyanide,m-methoxyphenyl acetonitrile,3-cyanomethyl anisole,benzeneacetonitrile, 3-methoxy,3-methoxybenzeneacetonitrile,m-methoxybenzyl cyanide,2-3-methoxyphenyl ethanenitrile PubChem CID: 88310 IUPAC Name: 2-(3-methoxyphenyl)acetonitrile SMILES: COC1=CC=CC(=C1)CC#N

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Specifications

PubChem CID	88310
CAS	19924-43-7
Molecular Weight (g/mol)	147.177
MDL Number	MFCD00001910
SMILES	COC1=CC=CC(=C1)CC#N
Synonym	3-methoxyphenyl acetonitrile,2-3-methoxyphenyl acetonitrile,3-methoxyphenylacetonitrile,3-methoxybenzyl cyanide,m-methoxyphenyl acetonitrile,3-cyanomethyl anisole,benzeneacetonitrile, 3-methoxy,3-methoxybenzeneacetonitrile,m-methoxybenzyl cyanide,2-3-methoxyphenyl ethanenitrile
IUPAC Name	2-(3-methoxyphenyl)acetonitrile
InChI Key	LXKNAUOWEJWGTE-UHFFFAOYSA-N
Molecular Formula	C9H9NO

2-Hydroxybenzyl alcohol, 99%

CAS: 90-01-7 Molecular Formula: C7H8O2 Molecular Weight (g/mol): 124.14 MDL Number: MFCD00004617 InChI Key: CQRYARSYNCAZFO-UHFFFAOYSA-N Synonym: salicyl alcohol,2-hydroxybenzyl alcohol,saligenin,2-hydroxymethyl phenol,2-methylolphenol,o-hydroxybenzyl alcohol,saligenol,benzenemethanol, 2-hydroxy,diathesin,o-methylolphenol PubChem CID: 5146 ChEBI: CHEBI:16464 IUPAC Name: 2-(hydroxymethyl)phenol SMILES: OCC1=CC=CC=C1O

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Specifications

PubChem CID	5146
CAS	90-01-7
Molecular Weight (g/mol)	124.14
ChEBI	CHEBI:16464
MDL Number	MFCD00004617
SMILES	OCC1=CC=CC=C1O
Synonym	salicyl alcohol,2-hydroxybenzyl alcohol,saligenin,2-hydroxymethyl phenol,2-methylolphenol,o-hydroxybenzyl alcohol,saligenol,benzenemethanol, 2-hydroxy,diathesin,o-methylolphenol
IUPAC Name	2-(hydroxymethyl)phenol
InChI Key	CQRYARSYNCAZFO-UHFFFAOYSA-N
Molecular Formula	C7H8O2

Benzyloxyacetaldehyde diethyl acetal, 98%

CAS: 42783-78-8 Molecular Formula: C13H20O3 Molecular Weight (g/mol): 224.3 MDL Number: MFCD00051786 InChI Key: VTYTZCJKJNWMGA-UHFFFAOYSA-N Synonym: 2,2-diethoxyethoxy methyl benzene,benzyloxyacetaldehyde diethyl acetal,benzene, 2,2-diethoxyethoxy methyl,acmc-20alp5,1,1-diethoxy-2-benzyloxy ethane,2,2-diethoxy-ethoxymethyl-benzene,2,2-diethoxy-1-phenylmethoxy ethane,2-benzyloxy acetaldehyde diethyl acetal PubChem CID: 4321487 IUPAC Name: 2,2-diethoxyethoxymethylbenzene SMILES: CCOC(COCC1=CC=CC=C1)OCC

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Specifications

PubChem CID	4321487
CAS	42783-78-8
Molecular Weight (g/mol)	224.3
MDL Number	MFCD00051786
SMILES	CCOC(COCC1=CC=CC=C1)OCC
Synonym	2,2-diethoxyethoxy methyl benzene,benzyloxyacetaldehyde diethyl acetal,benzene, 2,2-diethoxyethoxy methyl,acmc-20alp5,1,1-diethoxy-2-benzyloxy ethane,2,2-diethoxy-ethoxymethyl-benzene,2,2-diethoxy-1-phenylmethoxy ethane,2-benzyloxy acetaldehyde diethyl acetal
IUPAC Name	2,2-diethoxyethoxymethylbenzene
InChI Key	VTYTZCJKJNWMGA-UHFFFAOYSA-N
Molecular Formula	C13H20O3

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-]

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Specifications

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

4-Benzyloxybenzyl alcohol, 98+%

CAS: 836-43-1 Molecular Formula: C14H14O2 Molecular Weight (g/mol): 214.26 MDL Number: MFCD00004654 InChI Key: OEBIVOHKFYSBPE-UHFFFAOYSA-N Synonym: 4-benzyloxybenzyl alcohol,4-benzyloxy phenyl methanol,p-benzyloxybenzyl alcohol,4-benzyloxybenzylalcohol,4-benzyloxy benzyl alcohol,benzenemethanol, 4-phenylmethoxy,p-alkoxybenzyl alcohol resin,4-phenylmethoxyphenyl methanol,argopore-wang PubChem CID: 70043 ChEBI: CHEBI:29486 IUPAC Name: (4-phenylmethoxyphenyl)methanol SMILES: OCC1=CC=C(OCC2=CC=CC=C2)C=C1

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Specifications

PubChem CID	70043
CAS	836-43-1
Molecular Weight (g/mol)	214.26
ChEBI	CHEBI:29486
MDL Number	MFCD00004654
SMILES	OCC1=CC=C(OCC2=CC=CC=C2)C=C1
Synonym	4-benzyloxybenzyl alcohol,4-benzyloxy phenyl methanol,p-benzyloxybenzyl alcohol,4-benzyloxybenzylalcohol,4-benzyloxy benzyl alcohol,benzenemethanol, 4-phenylmethoxy,p-alkoxybenzyl alcohol resin,4-phenylmethoxyphenyl methanol,argopore-wang
IUPAC Name	(4-phenylmethoxyphenyl)methanol
InChI Key	OEBIVOHKFYSBPE-UHFFFAOYSA-N
Molecular Formula	C14H14O2

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