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Benzene and substituted derivatives

Benzene is an aromatic organic molecule composed of six carbon atoms and six hydrogen atoms that form a ring. Includes substituted derivative compounds.
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7,291 – 7,305 of 119,396 results
7,291

2,4,5-Trifluorobenzyl Chloride 98.0+%, TCI America™

CAS: 243139-71-1 Molecular Formula: C7H4ClF3 Molecular Weight (g/mol): 180.55 MDL Number: MFCD00236319 InChI Key: JMXPOOVDUVHJRO-UHFFFAOYSA-N Synonym: 2,4,5-trifluorobenzyl chloride,1-chloromethyl-2,4,5-trifluorobenzene,2,4,5-trifluorobenzylchloride,2,4,5-trifluorobenzyl choride,benzene, 1-chloromethyl-2,4,5-trifluoro,alpha-chloro-2,4,5-trifluorotoluene,1-chloromethyl-2,4,5-trifluoro-benzene,pubchem4024,acmc-1cjlx PubChem CID: 2777063 IUPAC Name: 1-(chloromethyl)-2,4,5-trifluorobenzene SMILES: FC1=CC(F)=C(CCl)C=C1F

PubChem CID 2777063
CAS 243139-71-1
Molecular Weight (g/mol) 180.55
MDL Number MFCD00236319
SMILES FC1=CC(F)=C(CCl)C=C1F
Synonym 2,4,5-trifluorobenzyl chloride,1-chloromethyl-2,4,5-trifluorobenzene,2,4,5-trifluorobenzylchloride,2,4,5-trifluorobenzyl choride,benzene, 1-chloromethyl-2,4,5-trifluoro,alpha-chloro-2,4,5-trifluorotoluene,1-chloromethyl-2,4,5-trifluoro-benzene,pubchem4024,acmc-1cjlx
IUPAC Name 1-(chloromethyl)-2,4,5-trifluorobenzene
InChI Key JMXPOOVDUVHJRO-UHFFFAOYSA-N
Molecular Formula C7H4ClF3
7,292

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde 97.0+%, TCI America™

CAS: 128376-64-7 Molecular Formula: C13H17BO3 Molecular Weight (g/mol): 232.09 MDL Number: MFCD04972375 InChI Key: DMBMXJJGPXADPO-UHFFFAOYSA-N Synonym: 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzaldehyde,4-formylphenylboronic acid pinacol ester,4-formylbenzeneboronic acid, pinacol ester,4-formylphenylboronic acid pinacolate,4-formylphenylboronic acid pinacol cyclic ester,4-formylphenylboronic acid, pinacol ester,4-tetramethyl-1,3,2-dioxaborolan-2-yl benzaldehyde,4-formylbenzeneboronic acid pinacol ester,benzaldehyde, 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,4-formylphenylboronic acid, pinacol cyclic ester PubChem CID: 2769536 IUPAC Name: 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde SMILES: CC1(C)OB(OC1(C)C)C1=CC=C(C=O)C=C1

PubChem CID 2769536
CAS 128376-64-7
Molecular Weight (g/mol) 232.09
MDL Number MFCD04972375
SMILES CC1(C)OB(OC1(C)C)C1=CC=C(C=O)C=C1
Synonym 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzaldehyde,4-formylphenylboronic acid pinacol ester,4-formylbenzeneboronic acid, pinacol ester,4-formylphenylboronic acid pinacolate,4-formylphenylboronic acid pinacol cyclic ester,4-formylphenylboronic acid, pinacol ester,4-tetramethyl-1,3,2-dioxaborolan-2-yl benzaldehyde,4-formylbenzeneboronic acid pinacol ester,benzaldehyde, 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,4-formylphenylboronic acid, pinacol cyclic ester
IUPAC Name 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
InChI Key DMBMXJJGPXADPO-UHFFFAOYSA-N
Molecular Formula C13H17BO3
7,293

Tranilast 98.0+%, TCI America™

CAS: 53902-12-8 Molecular Formula: C18H17NO5 Molecular Weight (g/mol): 327.34 MDL Number: MFCD00864787 InChI Key: NZHGWWWHIYHZNX-CSKARUKUSA-N Synonym: tranilast,rizaben,trans-tranilast,tranilastum,n-3,4-dimethoxycinnamoyl anthranilic acid,tranilastum inn-latin,tranilast usan:inn:jan,tranpro,unii-hvf50smy6e,rizaben tn PubChem CID: 5282230 ChEBI: CHEBI:77572 IUPAC Name: 2-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enamido]benzoic acid SMILES: COC1=CC=C(\C=C\C(=O)NC2=CC=CC=C2C(O)=O)C=C1OC

PubChem CID 5282230
CAS 53902-12-8
Molecular Weight (g/mol) 327.34
ChEBI CHEBI:77572
MDL Number MFCD00864787
SMILES COC1=CC=C(\C=C\C(=O)NC2=CC=CC=C2C(O)=O)C=C1OC
Synonym tranilast,rizaben,trans-tranilast,tranilastum,n-3,4-dimethoxycinnamoyl anthranilic acid,tranilastum inn-latin,tranilast usan:inn:jan,tranpro,unii-hvf50smy6e,rizaben tn
IUPAC Name 2-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enamido]benzoic acid
InChI Key NZHGWWWHIYHZNX-CSKARUKUSA-N
Molecular Formula C18H17NO5
7,294

1,2,3-Trifluorobenzene 98.0+%, TCI America™

CAS: 1489-53-8 Molecular Formula: C6H3F3 Molecular Weight (g/mol): 132.085 MDL Number: MFCD00012013 InChI Key: AJKNNUJQFALRIK-UHFFFAOYSA-N Synonym: trifluorobenzene,benzene, trifluoro,benzene, 1,2,3-trifluoro,3,4,5-trifluoro-benzene,pubchem1067,1,2,3-fluorobenzene,1,2,3-trifluorobenze,1,2,3-trifluorbenzen,1,2,6-trifluorobenzene,2,3,4-trifluorobenzene PubChem CID: 15147 IUPAC Name: 1,2,3-trifluorobenzene SMILES: C1=CC(=C(C(=C1)F)F)F

PubChem CID 15147
CAS 1489-53-8
Molecular Weight (g/mol) 132.085
MDL Number MFCD00012013
SMILES C1=CC(=C(C(=C1)F)F)F
Synonym trifluorobenzene,benzene, trifluoro,benzene, 1,2,3-trifluoro,3,4,5-trifluoro-benzene,pubchem1067,1,2,3-fluorobenzene,1,2,3-trifluorobenze,1,2,3-trifluorbenzen,1,2,6-trifluorobenzene,2,3,4-trifluorobenzene
IUPAC Name 1,2,3-trifluorobenzene
InChI Key AJKNNUJQFALRIK-UHFFFAOYSA-N
Molecular Formula C6H3F3
7,295

2,3,5-Trifluorobenzonitrile 97.0+%, TCI America™

CAS: 241154-09-6 Molecular Formula: C7H2F3N Molecular Weight (g/mol): 157.095 MDL Number: MFCD00083539 InChI Key: MMPKVFQMDMBXSG-UHFFFAOYSA-N Synonym: benzonitrile, 2,3,5-trifluoro,2,3,5-trifluorobenzenecarbonitrile,pubchem4823,intermediates-zcf02648,ksc552s4h,2,3,5-trifluoro-benzonitrile,benzonitrile,2,3,5-trifluoro,2,3,5-trifluoro benzonitrile PubChem CID: 2776998 IUPAC Name: 2,3,5-trifluorobenzonitrile SMILES: C1=C(C=C(C(=C1F)F)C#N)F

PubChem CID 2776998
CAS 241154-09-6
Molecular Weight (g/mol) 157.095
MDL Number MFCD00083539
SMILES C1=C(C=C(C(=C1F)F)C#N)F
Synonym benzonitrile, 2,3,5-trifluoro,2,3,5-trifluorobenzenecarbonitrile,pubchem4823,intermediates-zcf02648,ksc552s4h,2,3,5-trifluoro-benzonitrile,benzonitrile,2,3,5-trifluoro,2,3,5-trifluoro benzonitrile
IUPAC Name 2,3,5-trifluorobenzonitrile
InChI Key MMPKVFQMDMBXSG-UHFFFAOYSA-N
Molecular Formula C7H2F3N
7,296

4-(Trifluoromethylthio)benzyl Bromide 97.0+%, TCI America™

CAS: 21101-63-3 Molecular Formula: C8H6BrF3S Molecular Weight (g/mol): 271.095 MDL Number: MFCD00129189 InChI Key: VAYGJBCOCRVROJ-UHFFFAOYSA-N Synonym: 4-trifluoromethylthio benzyl bromide,4-bromomethyl phenyl trifluoromethyl sulfane,4-trifluoromethylthio benzylbromide,1-bromomethyl-4-trifluoromethyl sulfanyl benzene,benzene, 1-bromomethyl-4-trifluoromethyl thio,1-bromomethyl-4-trifluoromethylsulfanyl-benzene,1-bromomethyl-4-trifluoromethylsulfanyl benzene,acmc-1coe0,4-trifluoromethylthiobenzyl bromide,4 trifluoromethylthio benzyl bromide PubChem CID: 2777882 IUPAC Name: 1-(bromomethyl)-4-(trifluoromethylsulfanyl)benzene SMILES: C1=CC(=CC=C1CBr)SC(F)(F)F

PubChem CID 2777882
CAS 21101-63-3
Molecular Weight (g/mol) 271.095
MDL Number MFCD00129189
SMILES C1=CC(=CC=C1CBr)SC(F)(F)F
Synonym 4-trifluoromethylthio benzyl bromide,4-bromomethyl phenyl trifluoromethyl sulfane,4-trifluoromethylthio benzylbromide,1-bromomethyl-4-trifluoromethyl sulfanyl benzene,benzene, 1-bromomethyl-4-trifluoromethyl thio,1-bromomethyl-4-trifluoromethylsulfanyl-benzene,1-bromomethyl-4-trifluoromethylsulfanyl benzene,acmc-1coe0,4-trifluoromethylthiobenzyl bromide,4 trifluoromethylthio benzyl bromide
IUPAC Name 1-(bromomethyl)-4-(trifluoromethylsulfanyl)benzene
InChI Key VAYGJBCOCRVROJ-UHFFFAOYSA-N
Molecular Formula C8H6BrF3S
7,297

p-Tolyldiethanolamine 96.0+%, TCI America™

CAS: 3077-12-1 Molecular Formula: C11H17NO2 Molecular Weight (g/mol): 195.26 MDL Number: MFCD00020580 InChI Key: JUVSRZCUMWZBFK-UHFFFAOYSA-N Synonym: N,N-Bis(2-hydroxyethyl)-p-toluidine, 2,2′C-(4-Methylphenylimino)diethanol, 2,2′C-(p-Tolylimino)diethanol PubChem CID: 76497 IUPAC Name: 2-[N-(2-hydroxyethyl)-4-methylanilino]ethanol SMILES: CC1=CC=C(C=C1)N(CCO)CCO

PubChem CID 76497
CAS 3077-12-1
Molecular Weight (g/mol) 195.26
MDL Number MFCD00020580
SMILES CC1=CC=C(C=C1)N(CCO)CCO
Synonym N,N-Bis(2-hydroxyethyl)-p-toluidine, 2,2′C-(4-Methylphenylimino)diethanol, 2,2′C-(p-Tolylimino)diethanol
IUPAC Name 2-[N-(2-hydroxyethyl)-4-methylanilino]ethanol
InChI Key JUVSRZCUMWZBFK-UHFFFAOYSA-N
Molecular Formula C11H17NO2
7,298

4-(Trifluoromethoxy)toluene 98.0+%, TCI America™

CAS: 706-27-4 Molecular Formula: C8H7F3O Molecular Weight (g/mol): 176.138 MDL Number: MFCD00042413 InChI Key: JUXFXYQUXNXVAA-UHFFFAOYSA-N Synonym: 1-methyl-4-trifluoromethoxy benzene,4-trifluoromethoxytoluene,4-trifluoromethoxy toluene,4-toluene trifluoromethyl ether,4-methyltrifluoromethoxybenzene,benzene, 1-methyl-4-trifluoromethoxy,4-methyl-alpha,alpha,alpha-trifluoroanisole,pubchem13486,acmc-209ofc PubChem CID: 2760631 IUPAC Name: 1-methyl-4-(trifluoromethoxy)benzene SMILES: CC1=CC=C(C=C1)OC(F)(F)F

PubChem CID 2760631
CAS 706-27-4
Molecular Weight (g/mol) 176.138
MDL Number MFCD00042413
SMILES CC1=CC=C(C=C1)OC(F)(F)F
Synonym 1-methyl-4-trifluoromethoxy benzene,4-trifluoromethoxytoluene,4-trifluoromethoxy toluene,4-toluene trifluoromethyl ether,4-methyltrifluoromethoxybenzene,benzene, 1-methyl-4-trifluoromethoxy,4-methyl-alpha,alpha,alpha-trifluoroanisole,pubchem13486,acmc-209ofc
IUPAC Name 1-methyl-4-(trifluoromethoxy)benzene
InChI Key JUXFXYQUXNXVAA-UHFFFAOYSA-N
Molecular Formula C8H7F3O
7,299

3,4,5-Trifluorobenzyl Bromide 97.0+%, TCI America™

CAS: 220141-72-0 Molecular Formula: C7H4BrF3 Molecular Weight (g/mol): 225.01 MDL Number: MFCD00083528 InChI Key: MPEKZIYOLQCWLL-UHFFFAOYSA-N Synonym: 3,4,5-trifluorobenzyl bromide,5-bromomethyl-1,2,3-trifluorobenzene,3,4,5-trifluorobenzylbromide,alpha-bromo-3,4,5-trifluorotoluene,3,4,5-trifluoro benzyl bromide,benzene, 5-bromomethyl-1,2,3-trifluoro,a-bromo-3,4,5-trifluorotoluene,pubchem4670,acmc-1cupe PubChem CID: 2777062 IUPAC Name: 5-(bromomethyl)-1,2,3-trifluorobenzene SMILES: FC1=CC(CBr)=CC(F)=C1F

PubChem CID 2777062
CAS 220141-72-0
Molecular Weight (g/mol) 225.01
MDL Number MFCD00083528
SMILES FC1=CC(CBr)=CC(F)=C1F
Synonym 3,4,5-trifluorobenzyl bromide,5-bromomethyl-1,2,3-trifluorobenzene,3,4,5-trifluorobenzylbromide,alpha-bromo-3,4,5-trifluorotoluene,3,4,5-trifluoro benzyl bromide,benzene, 5-bromomethyl-1,2,3-trifluoro,a-bromo-3,4,5-trifluorotoluene,pubchem4670,acmc-1cupe
IUPAC Name 5-(bromomethyl)-1,2,3-trifluorobenzene
InChI Key MPEKZIYOLQCWLL-UHFFFAOYSA-N
Molecular Formula C7H4BrF3
7,300

2-(Trifluoromethyl)phenyl Isothiocyanate 98.0+%, TCI America™

CAS: 1743-86-8 Molecular Formula: C8H4F3NS Molecular Weight (g/mol): 203.182 MDL Number: MFCD00039644 InChI Key: FCEKLQPJGXIQRY-UHFFFAOYSA-N Synonym: 2-trifluoromethyl phenyl isothiocyanate,1-isothiocyanato-2-trifluoromethyl benzene,2-trifluoromethylphenylisothiocyanate,2-trifluoromethyl phenylisothiocyanate,2-trifluoromethylphenyl isothiocyanate,o-trifluoromethyl phenyl isothiocyanate,1-isothiocyanato-2-trifluoromethyl-benzene,benzene, 1-isothiocyanato-2-trifluoromethyl,alpha,alpha,alpha-trifluoro-o-tolyl isothiocyanate,isothiocyanic acid 2-trifluoromethyl phenyl ester PubChem CID: 737162 IUPAC Name: 1-isothiocyanato-2-(trifluoromethyl)benzene SMILES: C1=CC=C(C(=C1)C(F)(F)F)N=C=S

PubChem CID 737162
CAS 1743-86-8
Molecular Weight (g/mol) 203.182
MDL Number MFCD00039644
SMILES C1=CC=C(C(=C1)C(F)(F)F)N=C=S
Synonym 2-trifluoromethyl phenyl isothiocyanate,1-isothiocyanato-2-trifluoromethyl benzene,2-trifluoromethylphenylisothiocyanate,2-trifluoromethyl phenylisothiocyanate,2-trifluoromethylphenyl isothiocyanate,o-trifluoromethyl phenyl isothiocyanate,1-isothiocyanato-2-trifluoromethyl-benzene,benzene, 1-isothiocyanato-2-trifluoromethyl,alpha,alpha,alpha-trifluoro-o-tolyl isothiocyanate,isothiocyanic acid 2-trifluoromethyl phenyl ester
IUPAC Name 1-isothiocyanato-2-(trifluoromethyl)benzene
InChI Key FCEKLQPJGXIQRY-UHFFFAOYSA-N
Molecular Formula C8H4F3NS
7,301

2,4,5-Trimethylbenzoic Acid 97.0+%, TCI America™

CAS: 528-90-5 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.20 MDL Number: MFCD00075863 InChI Key: QENJZWZWAWWESF-UHFFFAOYSA-N PubChem CID: 10714 IUPAC Name: 2,4,5-trimethylbenzoic acid SMILES: CC1=CC(C)=C(C=C1C)C(O)=O

PubChem CID 10714
CAS 528-90-5
Molecular Weight (g/mol) 164.20
MDL Number MFCD00075863
SMILES CC1=CC(C)=C(C=C1C)C(O)=O
IUPAC Name 2,4,5-trimethylbenzoic acid
InChI Key QENJZWZWAWWESF-UHFFFAOYSA-N
Molecular Formula C10H12O2
7,302

Tris(pentafluorophenyl)phosphine 95.0+%, TCI America™

CAS: 1259-35-4 Molecular Formula: C18F15P Molecular Weight (g/mol): 532.15 MDL Number: MFCD00079654 InChI Key: FQLSDFNKTNBQLC-UHFFFAOYSA-N Synonym: tris pentafluorophenyl phosphine,phosphine, tris pentafluorophenyl,tris perfluorophenyl phosphine,tris pentafluorophenyl phosphane,tris 2,3,4,5,6-pentafluorophenyl phosphane,pubchem6422,acmc-1bogg,ksc491k1f,tris-pentafluorophenyl-phosphane PubChem CID: 102076 IUPAC Name: tris(2,3,4,5,6-pentafluorophenyl)phosphane SMILES: FC1=C(F)C(F)=C(P(C2=C(F)C(F)=C(F)C(F)=C2F)C2=C(F)C(F)=C(F)C(F)=C2F)C(F)=C1F

PubChem CID 102076
CAS 1259-35-4
Molecular Weight (g/mol) 532.15
MDL Number MFCD00079654
SMILES FC1=C(F)C(F)=C(P(C2=C(F)C(F)=C(F)C(F)=C2F)C2=C(F)C(F)=C(F)C(F)=C2F)C(F)=C1F
Synonym tris pentafluorophenyl phosphine,phosphine, tris pentafluorophenyl,tris perfluorophenyl phosphine,tris pentafluorophenyl phosphane,tris 2,3,4,5,6-pentafluorophenyl phosphane,pubchem6422,acmc-1bogg,ksc491k1f,tris-pentafluorophenyl-phosphane
IUPAC Name tris(2,3,4,5,6-pentafluorophenyl)phosphane
InChI Key FQLSDFNKTNBQLC-UHFFFAOYSA-N
Molecular Formula C18F15P
7,303

Tris[3,5-bis(trifluoromethyl)phenyl]phosphine 98.0+%, TCI America™

CAS: 175136-62-6 Molecular Formula: C24H9F18P Molecular Weight (g/mol): 670.281 MDL Number: MFCD00042428 InChI Key: ITJHLZVYLDBFOJ-UHFFFAOYSA-N Synonym: tris 3,5-bis trifluoromethyl phenyl phosphine,tris 3,5-bis trifluoromethyl phenyl phosphane,acmc-20ajat,tri 3,5-di trifluoromethyl phenyl phosphine,tris 3,5-bis-trifluoromethylphenyl phosphine,phosphine,tris 3,5-bis trifluoromethyl phenyl,tris 3,5-bis trifluoromethyl phenyl phosphine gc , yellow-brown PubChem CID: 2778032 IUPAC Name: tris[3,5-bis(trifluoromethyl)phenyl]phosphane SMILES: C1=C(C=C(C=C1C(F)(F)F)P(C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(F)(F)F

PubChem CID 2778032
CAS 175136-62-6
Molecular Weight (g/mol) 670.281
MDL Number MFCD00042428
SMILES C1=C(C=C(C=C1C(F)(F)F)P(C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(F)(F)F
Synonym tris 3,5-bis trifluoromethyl phenyl phosphine,tris 3,5-bis trifluoromethyl phenyl phosphane,acmc-20ajat,tri 3,5-di trifluoromethyl phenyl phosphine,tris 3,5-bis-trifluoromethylphenyl phosphine,phosphine,tris 3,5-bis trifluoromethyl phenyl,tris 3,5-bis trifluoromethyl phenyl phosphine gc , yellow-brown
IUPAC Name tris[3,5-bis(trifluoromethyl)phenyl]phosphane
InChI Key ITJHLZVYLDBFOJ-UHFFFAOYSA-N
Molecular Formula C24H9F18P
7,304

2,4,6-Triisopropylphenylboronic Acid (contains varying amounts of Anhydride), TCI America™

CAS: 154549-38-9 Molecular Formula: C15H25BO2 Molecular Weight (g/mol): 248.173 MDL Number: MFCD02683099 InChI Key: FGFYEKLWZBTLEW-UHFFFAOYSA-N Synonym: 2,4,6-triisopropylphenyl boronic acid,2,4,6-triisopropylphenylboronic acid,2,4,6-triisopropylbenzeneboronic acid,2,4,6-tri propan-2-yl phenyl boronic acid,2,4,6-tris propan-2-yl phenyl boronic acid,acmc-209dav,2,4,6-triisopropylphenyiboronic acid,2,4,6-triisopropylphenyl boronicacid PubChem CID: 15153544 IUPAC Name: [2,4,6-tri(propan-2-yl)phenyl]boronic acid SMILES: B(C1=C(C=C(C=C1C(C)C)C(C)C)C(C)C)(O)O

PubChem CID 15153544
CAS 154549-38-9
Molecular Weight (g/mol) 248.173
MDL Number MFCD02683099
SMILES B(C1=C(C=C(C=C1C(C)C)C(C)C)C(C)C)(O)O
Synonym 2,4,6-triisopropylphenyl boronic acid,2,4,6-triisopropylphenylboronic acid,2,4,6-triisopropylbenzeneboronic acid,2,4,6-tri propan-2-yl phenyl boronic acid,2,4,6-tris propan-2-yl phenyl boronic acid,acmc-209dav,2,4,6-triisopropylphenyiboronic acid,2,4,6-triisopropylphenyl boronicacid
IUPAC Name [2,4,6-tri(propan-2-yl)phenyl]boronic acid
InChI Key FGFYEKLWZBTLEW-UHFFFAOYSA-N
Molecular Formula C15H25BO2
7,305

2,6-Dimethylbenzyl Chloride 98.0+%, TCI America™

CAS: 5402-60-8 Molecular Formula: C9H11Cl Molecular Weight (g/mol): 154.637 MDL Number: MFCD01310815 InChI Key: HPVRFWQMBYLJRL-UHFFFAOYSA-N PubChem CID: 221154 IUPAC Name: 2-(chloromethyl)-1,3-dimethylbenzene SMILES: CC1=C(C(=CC=C1)C)CCl

PubChem CID 221154
CAS 5402-60-8
Molecular Weight (g/mol) 154.637
MDL Number MFCD01310815
SMILES CC1=C(C(=CC=C1)C)CCl
IUPAC Name 2-(chloromethyl)-1,3-dimethylbenzene
InChI Key HPVRFWQMBYLJRL-UHFFFAOYSA-N
Molecular Formula C9H11Cl