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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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1

5-Fluoro-2-nitrophenylacetonitrile, 99%, Thermo Scientific Chemicals

CAS: 3456-75-5 Molecular Formula: C8H5FN2O2 Molecular Weight (g/mol): 180.138 MDL Number: MFCD00039742 InChI Key: YETOJTGGLXHUCS-UHFFFAOYSA-N Synonym: 5-fluoro-2-nitrophenylacetonitrile,2-5-fluoro-2-nitrophenyl acetonitrile,benzeneacetonitrile, 5-fluoro-2-nitro,acetonitrile, 2-5-fluoro-2-nitrophenyl,acetonitrile, 5-fluoro-2-nitrophenyl,ambkkkkk707,acmc-1ah79,5-fluoro-2-nitrophenyl acetonitrile,benzeneacetonitrile,5-fluoro-2-nitro PubChem CID: 18945 IUPAC Name: 2-(5-fluoro-2-nitrophenyl)acetonitrile SMILES: C1=CC(=C(C=C1F)CC#N)[N+](=O)[O-]

PubChem CID 18945
CAS 3456-75-5
Molecular Weight (g/mol) 180.138
MDL Number MFCD00039742
SMILES C1=CC(=C(C=C1F)CC#N)[N+](=O)[O-]
Synonym 5-fluoro-2-nitrophenylacetonitrile,2-5-fluoro-2-nitrophenyl acetonitrile,benzeneacetonitrile, 5-fluoro-2-nitro,acetonitrile, 2-5-fluoro-2-nitrophenyl,acetonitrile, 5-fluoro-2-nitrophenyl,ambkkkkk707,acmc-1ah79,5-fluoro-2-nitrophenyl acetonitrile,benzeneacetonitrile,5-fluoro-2-nitro
IUPAC Name 2-(5-fluoro-2-nitrophenyl)acetonitrile
InChI Key YETOJTGGLXHUCS-UHFFFAOYSA-N
Molecular Formula C8H5FN2O2
2

Benzyloxyacetic acid, 95%

CAS: 30379-55-6 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00274211 InChI Key: GRZHHTYDZVRPIC-UHFFFAOYSA-N Synonym: benzyloxyacetic acid,2-benzyloxy acetic acid,benzyloxy acetic acid,acetic acid, phenylmethoxy,phenylmethoxyaceticacid,2-phenylmethoxy acetic acid,benzyloxy-acetic acid,2-benzyloxyacetic acid,acetic acid, 2-phenylmethoxy PubChem CID: 290301 IUPAC Name: 2-phenylmethoxyacetic acid SMILES: OC(=O)COCC1=CC=CC=C1

PubChem CID 290301
CAS 30379-55-6
Molecular Weight (g/mol) 166.18
MDL Number MFCD00274211
SMILES OC(=O)COCC1=CC=CC=C1
Synonym benzyloxyacetic acid,2-benzyloxy acetic acid,benzyloxy acetic acid,acetic acid, phenylmethoxy,phenylmethoxyaceticacid,2-phenylmethoxy acetic acid,benzyloxy-acetic acid,2-benzyloxyacetic acid,acetic acid, 2-phenylmethoxy
IUPAC Name 2-phenylmethoxyacetic acid
InChI Key GRZHHTYDZVRPIC-UHFFFAOYSA-N
Molecular Formula C9H10O3
3

Salbutamol hemisulfate, 98+%

CAS: 51022-70-9 Molecular Formula: C13H23NO7S Molecular Weight (g/mol): 337.387 MDL Number: MFCD00055200 InChI Key: OVICLFZZVQVVFT-UHFFFAOYSA-N Synonym: salbutamol sulfate,albuterol sulfate,ventolin,ventorlin,4-2-tert-butylamino-1-hydroxyethyl-2-hydroxymethyl phenol sulfate,asthavent,albuterol sulfate 1:x,salbutamol; sulfuric acid,asmaven sulfate,2-tert-butylamino-1-4-hydroxy-3-hydroxymethylphenyl ethanol hemisulfate PubChem CID: 9884233 IUPAC Name: 4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol;sulfuric acid SMILES: CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O.OS(=O)(=O)O

PubChem CID 9884233
CAS 51022-70-9
Molecular Weight (g/mol) 337.387
MDL Number MFCD00055200
SMILES CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O.OS(=O)(=O)O
Synonym salbutamol sulfate,albuterol sulfate,ventolin,ventorlin,4-2-tert-butylamino-1-hydroxyethyl-2-hydroxymethyl phenol sulfate,asthavent,albuterol sulfate 1:x,salbutamol; sulfuric acid,asmaven sulfate,2-tert-butylamino-1-4-hydroxy-3-hydroxymethylphenyl ethanol hemisulfate
IUPAC Name 4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol;sulfuric acid
InChI Key OVICLFZZVQVVFT-UHFFFAOYSA-N
Molecular Formula C13H23NO7S
4

DL-alpha-Methoxyphenylacetic Acid 98.0+%, TCI America™

CAS: 7021-09-2 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00064217 InChI Key: DIWVBIXQCNRCFE-UHFFFAOYNA-N Synonym: methoxyphenylacetic acid,methoxy phenyl acetic acid,dl-alpha-methoxyphenylacetic acid,acetic acid, methoxyphenyl,alpha-methoxyphenylacetic acid,o-methyl-dl-mandelic acid,benzeneacetic acid, .alpha.-methoxy,2-methoxy-2-phenyl-acetic acid,methyloxy phenyl acetic acid,.alpha.-methoxyphenylacetic acid PubChem CID: 107202 IUPAC Name: 2-methoxy-2-phenylacetic acid SMILES: COC(C1=CC=CC=C1)C(=O)O

PubChem CID 107202
CAS 7021-09-2
Molecular Weight (g/mol) 166.18
MDL Number MFCD00064217
SMILES COC(C1=CC=CC=C1)C(=O)O
Synonym methoxyphenylacetic acid,methoxy phenyl acetic acid,dl-alpha-methoxyphenylacetic acid,acetic acid, methoxyphenyl,alpha-methoxyphenylacetic acid,o-methyl-dl-mandelic acid,benzeneacetic acid, .alpha.-methoxy,2-methoxy-2-phenyl-acetic acid,methyloxy phenyl acetic acid,.alpha.-methoxyphenylacetic acid
IUPAC Name 2-methoxy-2-phenylacetic acid
InChI Key DIWVBIXQCNRCFE-UHFFFAOYNA-N
Molecular Formula C9H10O3
5

Miconazole, 97%

CAS: 22916-47-8 Molecular Formula: C18H14Cl4N2O Molecular Weight (g/mol): 416.12 MDL Number: MFCD00216019 InChI Key: BYBLEWFAAKGYCD-UHFFFAOYNA-N Synonym: miconazole,monistat,monistat iv,daktarin iv,miconazolo,miconazolum,miconazol,minostate,dactarin,monistat-derm PubChem CID: 4189 ChEBI: CHEBI:82892 IUPAC Name: 1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-1H-imidazole SMILES: ClC1=CC=C(COC(CN2C=CN=C2)C2=CC=C(Cl)C=C2Cl)C(Cl)=C1

PubChem CID 4189
CAS 22916-47-8
Molecular Weight (g/mol) 416.12
ChEBI CHEBI:82892
MDL Number MFCD00216019
SMILES ClC1=CC=C(COC(CN2C=CN=C2)C2=CC=C(Cl)C=C2Cl)C(Cl)=C1
Synonym miconazole,monistat,monistat iv,daktarin iv,miconazolo,miconazolum,miconazol,minostate,dactarin,monistat-derm
IUPAC Name 1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-1H-imidazole
InChI Key BYBLEWFAAKGYCD-UHFFFAOYNA-N
Molecular Formula C18H14Cl4N2O
6

Econazole, 99%, Thermo Scientific Chemicals

CAS: 27220-47-9 Molecular Formula: C18H15Cl3N2O Molecular Weight (g/mol): 381.68 MDL Number: MFCD00800993,MFCD00058160 (.HNO3) InChI Key: LEZWWPYKPKIXLL-UHFFFAOYNA-N Synonym: econazole,ecostatin,econazolum,pevaryl,gyno-pevaryl,econazol,palavale,spectazole,+--econazole,ecostatin cream PubChem CID: 3198 ChEBI: CHEBI:82873 IUPAC Name: 1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole SMILES: ClC1=CC=C(COC(CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=C1

PubChem CID 3198
CAS 27220-47-9
Molecular Weight (g/mol) 381.68
ChEBI CHEBI:82873
MDL Number MFCD00800993,MFCD00058160 (.HNO3)
SMILES ClC1=CC=C(COC(CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=C1
Synonym econazole,ecostatin,econazolum,pevaryl,gyno-pevaryl,econazol,palavale,spectazole,+--econazole,ecostatin cream
IUPAC Name 1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole
InChI Key LEZWWPYKPKIXLL-UHFFFAOYNA-N
Molecular Formula C18H15Cl3N2O
7

2,5-Dichlorobenzyl alcohol, 99%

CAS: 34145-05-6 Molecular Formula: C7H6Cl2O Molecular Weight (g/mol): 177.024 MDL Number: MFCD00004607 InChI Key: LCEIGNVIDJNUGF-UHFFFAOYSA-N PubChem CID: 118604 IUPAC Name: (2,5-dichlorophenyl)methanol SMILES: C1=CC(=C(C=C1Cl)CO)Cl

PubChem CID 118604
CAS 34145-05-6
Molecular Weight (g/mol) 177.024
MDL Number MFCD00004607
SMILES C1=CC(=C(C=C1Cl)CO)Cl
IUPAC Name (2,5-dichlorophenyl)methanol
InChI Key LCEIGNVIDJNUGF-UHFFFAOYSA-N
Molecular Formula C7H6Cl2O
8

N-Boc-O-benzyl-L-threonine, 99%

CAS: 15260-10-3 Molecular Formula: C16H23NO5 Molecular Weight (g/mol): 309.36 MDL Number: MFCD00066062 InChI Key: CTXPLTPDOISPTE-YPMHNXCESA-N Synonym: boc-thr bzl-oh,boc-o-benzyl-l-threonine,n-tert-butoxycarbonyl-o-benzyl-l-threonine,n-boc-o-benzyl-l-threonine,boc-thr bzl,o-benzyl-n-tert-butoxycarbonyl-l-threonine,n-1,1-dimethylethoxy carbonyl-o-phenylmethyl-l-threonine,l-threonine, n-1,1-dimethylethoxy carbonyl-o-phenylmethyl,2s,3r-2-2-methylpropan-2-yl oxycarbonylamino-3-phenylmethoxybutanoic acid PubChem CID: 1549483 IUPAC Name: (2S,3R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxybutanoic acid SMILES: C[C@@H](OCC1=CC=CC=C1)[C@H](NC(=O)OC(C)(C)C)C(O)=O

PubChem CID 1549483
CAS 15260-10-3
Molecular Weight (g/mol) 309.36
MDL Number MFCD00066062
SMILES C[C@@H](OCC1=CC=CC=C1)[C@H](NC(=O)OC(C)(C)C)C(O)=O
Synonym boc-thr bzl-oh,boc-o-benzyl-l-threonine,n-tert-butoxycarbonyl-o-benzyl-l-threonine,n-boc-o-benzyl-l-threonine,boc-thr bzl,o-benzyl-n-tert-butoxycarbonyl-l-threonine,n-1,1-dimethylethoxy carbonyl-o-phenylmethyl-l-threonine,l-threonine, n-1,1-dimethylethoxy carbonyl-o-phenylmethyl,2s,3r-2-2-methylpropan-2-yl oxycarbonylamino-3-phenylmethoxybutanoic acid
IUPAC Name (2S,3R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxybutanoic acid
InChI Key CTXPLTPDOISPTE-YPMHNXCESA-N
Molecular Formula C16H23NO5
9

3,5-Dibromobenzyl bromide, 99%

CAS: 56908-88-4 Molecular Formula: C7H5Br3 Molecular Weight (g/mol): 328.83 MDL Number: MFCD00052415 InChI Key: PWTFRUXTAFBWBW-UHFFFAOYSA-N Synonym: 3,5-dibromobenzyl bromide,1,3-dibromo-5-bromomethyl benzene,benzene, 1,3-dibromo-5-bromomethyl,alpha,3,5-tribromotoluene,acmc-20andg,3,5-dibromobenzylbromide,3,5-dibromo benzyl bromide,1,3-bis bromanyl-5-bromomethyl benzene PubChem CID: 143427 IUPAC Name: 1,3-dibromo-5-(bromomethyl)benzene SMILES: BrCC1=CC(Br)=CC(Br)=C1

PubChem CID 143427
CAS 56908-88-4
Molecular Weight (g/mol) 328.83
MDL Number MFCD00052415
SMILES BrCC1=CC(Br)=CC(Br)=C1
Synonym 3,5-dibromobenzyl bromide,1,3-dibromo-5-bromomethyl benzene,benzene, 1,3-dibromo-5-bromomethyl,alpha,3,5-tribromotoluene,acmc-20andg,3,5-dibromobenzylbromide,3,5-dibromo benzyl bromide,1,3-bis bromanyl-5-bromomethyl benzene
IUPAC Name 1,3-dibromo-5-(bromomethyl)benzene
InChI Key PWTFRUXTAFBWBW-UHFFFAOYSA-N
Molecular Formula C7H5Br3
10

4-Fluoro-2-methylbenzyl alcohol, 99%

CAS: 80141-91-9 Molecular Formula: C8H9FO Molecular Weight (g/mol): 140.157 MDL Number: MFCD03701058 InChI Key: YSULUXOLTMBSFF-UHFFFAOYSA-N Synonym: 4-fluoro-2-methylphenyl methanol,4-fluoro-2-methylbenzyl alcohol,4-fluoro-2-methylbenzylalcohol,rarechem al bd 0506,4-fluoro-2-methylbenzenemethanol,benzenemethanol, 4-fluoro-2-methyl,4-fluoro-2-methyl-phenyl-methanol,4-fluoro-2-methylphenyl methan-1-ol,4'-fluoro-2-methylbenzyl alcohol PubChem CID: 3872017 IUPAC Name: (4-fluoro-2-methylphenyl)methanol SMILES: CC1=C(C=CC(=C1)F)CO

PubChem CID 3872017
CAS 80141-91-9
Molecular Weight (g/mol) 140.157
MDL Number MFCD03701058
SMILES CC1=C(C=CC(=C1)F)CO
Synonym 4-fluoro-2-methylphenyl methanol,4-fluoro-2-methylbenzyl alcohol,4-fluoro-2-methylbenzylalcohol,rarechem al bd 0506,4-fluoro-2-methylbenzenemethanol,benzenemethanol, 4-fluoro-2-methyl,4-fluoro-2-methyl-phenyl-methanol,4-fluoro-2-methylphenyl methan-1-ol,4'-fluoro-2-methylbenzyl alcohol
IUPAC Name (4-fluoro-2-methylphenyl)methanol
InChI Key YSULUXOLTMBSFF-UHFFFAOYSA-N
Molecular Formula C8H9FO
11

2-Iodobenzyl alcohol, 98+%

CAS: 5159-41-1 Molecular Formula: C7H7IO Molecular Weight (g/mol): 234.036 MDL Number: MFCD00004610 InChI Key: WZCXOBMFBKSSFA-UHFFFAOYSA-N Synonym: 2-iodobenzyl alcohol,2-iodophenyl methanol,o-iodobenzyl alcohol,2-iodobenzylalcohol,benzenemethanol, 2-iodo,2-iodobenzylic alcohol,2-jod-benzylalkohol,o-iodo benzylalcohol,2-iodo-benzyl alcohol PubChem CID: 107629 IUPAC Name: (2-iodophenyl)methanol SMILES: C1=CC=C(C(=C1)CO)I

PubChem CID 107629
CAS 5159-41-1
Molecular Weight (g/mol) 234.036
MDL Number MFCD00004610
SMILES C1=CC=C(C(=C1)CO)I
Synonym 2-iodobenzyl alcohol,2-iodophenyl methanol,o-iodobenzyl alcohol,2-iodobenzylalcohol,benzenemethanol, 2-iodo,2-iodobenzylic alcohol,2-jod-benzylalkohol,o-iodo benzylalcohol,2-iodo-benzyl alcohol
IUPAC Name (2-iodophenyl)methanol
InChI Key WZCXOBMFBKSSFA-UHFFFAOYSA-N
Molecular Formula C7H7IO
12

3,5-Dibromobenzyl bromide, 99%, Thermo Scientific™

CAS: 56908-88-4 Molecular Formula: C7H5Br3 Molecular Weight (g/mol): 328.83 MDL Number: MFCD00052415 InChI Key: PWTFRUXTAFBWBW-UHFFFAOYSA-N Synonym: 3,5-dibromobenzyl bromide,1,3-dibromo-5-bromomethyl benzene,benzene, 1,3-dibromo-5-bromomethyl,alpha,3,5-tribromotoluene,acmc-20andg,3,5-dibromobenzylbromide,3,5-dibromo benzyl bromide,1,3-bis bromanyl-5-bromomethyl benzene PubChem CID: 143427 IUPAC Name: 1,3-dibromo-5-(bromomethyl)benzene SMILES: BrCC1=CC(Br)=CC(Br)=C1

PubChem CID 143427
CAS 56908-88-4
Molecular Weight (g/mol) 328.83
MDL Number MFCD00052415
SMILES BrCC1=CC(Br)=CC(Br)=C1
Synonym 3,5-dibromobenzyl bromide,1,3-dibromo-5-bromomethyl benzene,benzene, 1,3-dibromo-5-bromomethyl,alpha,3,5-tribromotoluene,acmc-20andg,3,5-dibromobenzylbromide,3,5-dibromo benzyl bromide,1,3-bis bromanyl-5-bromomethyl benzene
IUPAC Name 1,3-dibromo-5-(bromomethyl)benzene
InChI Key PWTFRUXTAFBWBW-UHFFFAOYSA-N
Molecular Formula C7H5Br3
13

DL-alpha-Methoxyphenylacetic acid, 99%

CAS: 7021-09-2 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 InChI Key: DIWVBIXQCNRCFE-UHFFFAOYNA-N Synonym: methoxyphenylacetic acid,methoxy phenyl acetic acid,dl-alpha-methoxyphenylacetic acid,acetic acid, methoxyphenyl,alpha-methoxyphenylacetic acid,o-methyl-dl-mandelic acid,benzeneacetic acid, .alpha.-methoxy,2-methoxy-2-phenyl-acetic acid,methyloxy phenyl acetic acid,.alpha.-methoxyphenylacetic acid PubChem CID: 107202 IUPAC Name: 2-methoxy-2-phenylacetic acid SMILES: COC(C1=CC=CC=C1)C(=O)O

PubChem CID 107202
CAS 7021-09-2
Molecular Weight (g/mol) 166.18
SMILES COC(C1=CC=CC=C1)C(=O)O
Synonym methoxyphenylacetic acid,methoxy phenyl acetic acid,dl-alpha-methoxyphenylacetic acid,acetic acid, methoxyphenyl,alpha-methoxyphenylacetic acid,o-methyl-dl-mandelic acid,benzeneacetic acid, .alpha.-methoxy,2-methoxy-2-phenyl-acetic acid,methyloxy phenyl acetic acid,.alpha.-methoxyphenylacetic acid
IUPAC Name 2-methoxy-2-phenylacetic acid
InChI Key DIWVBIXQCNRCFE-UHFFFAOYNA-N
Molecular Formula C9H10O3
14

4-Aminophenylacetonitrile, 99%

CAS: 3544-25-0 Molecular Formula: C8H8N2 Molecular Weight (g/mol): 132.17 MDL Number: MFCD00007912 InChI Key: YCWRFIYBUQBHJI-UHFFFAOYSA-N Synonym: 4-aminobenzyl cyanide,4-aminophenylacetonitrile,2-4-aminophenyl acetonitrile,4-aminophenyl acetonitrile,p-aminobenzyl cyanide,benzeneacetonitrile, 4-amino,4-aminobenzylcyanide,4-amino-phenyl-acetonitrile,2-4-aminophenyl ethanenitrile,4-aminobenzyl PubChem CID: 77000 IUPAC Name: 2-(4-aminophenyl)acetonitrile SMILES: NC1=CC=C(CC#N)C=C1

PubChem CID 77000
CAS 3544-25-0
Molecular Weight (g/mol) 132.17
MDL Number MFCD00007912
SMILES NC1=CC=C(CC#N)C=C1
Synonym 4-aminobenzyl cyanide,4-aminophenylacetonitrile,2-4-aminophenyl acetonitrile,4-aminophenyl acetonitrile,p-aminobenzyl cyanide,benzeneacetonitrile, 4-amino,4-aminobenzylcyanide,4-amino-phenyl-acetonitrile,2-4-aminophenyl ethanenitrile,4-aminobenzyl
IUPAC Name 2-(4-aminophenyl)acetonitrile
InChI Key YCWRFIYBUQBHJI-UHFFFAOYSA-N
Molecular Formula C8H8N2
15

2,3-Dichlorobenzyl bromide, 99%

CAS: 57915-78-3 Molecular Formula: C7H5BrCl2 Molecular Weight (g/mol): 239.921 MDL Number: MFCD03701317 InChI Key: PVIGUZZDWGININ-UHFFFAOYSA-N Synonym: 2,3-dichlorobenzyl bromide,1-bromomethyl-2,3-dichlorobenzene,2,3-dichlorobenzylbromide,alpha-bromo-2,3-dichlorotoluene,benzene,1-bromomethyl-2,3-dichloro,benzene, 1-bromomethyl-2,3-dichloro,acmc-209m1b PubChem CID: 2734602 IUPAC Name: 1-(bromomethyl)-2,3-dichlorobenzene SMILES: C1=CC(=C(C(=C1)Cl)Cl)CBr

PubChem CID 2734602
CAS 57915-78-3
Molecular Weight (g/mol) 239.921
MDL Number MFCD03701317
SMILES C1=CC(=C(C(=C1)Cl)Cl)CBr
Synonym 2,3-dichlorobenzyl bromide,1-bromomethyl-2,3-dichlorobenzene,2,3-dichlorobenzylbromide,alpha-bromo-2,3-dichlorotoluene,benzene,1-bromomethyl-2,3-dichloro,benzene, 1-bromomethyl-2,3-dichloro,acmc-209m1b
IUPAC Name 1-(bromomethyl)-2,3-dichlorobenzene
InChI Key PVIGUZZDWGININ-UHFFFAOYSA-N
Molecular Formula C7H5BrCl2