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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3,151 – 3,165 of 57,266 results

3,151

2,6-Dichlorobenzoic acid, 97%

CAS: 50-30-6 Molecular Formula: C7H4Cl2O2 Molecular Weight (g/mol): 191.01 MDL Number: MFCD00002418 InChI Key: MRUDNSFOFOQZDA-UHFFFAOYSA-N Synonym: benzoic acid, 2,6-dichloro,2,6-dichloro-benzoic acid,unii-634ri764qt,2,6 dichlorobenzoic acid,2,6-dichlorobenzoicacid,2,6-dichloro-benzoicacid,ccris 8610,pubchem20028,acmc-1auop,2.6-dichlorobenzoic acid PubChem CID: 5758 ChEBI: CHEBI:48623 IUPAC Name: 2,6-dichlorobenzoic acid SMILES: OC(=O)C1=C(Cl)C=CC=C1Cl

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Specifications

PubChem CID	5758
CAS	50-30-6
Molecular Weight (g/mol)	191.01
ChEBI	CHEBI:48623
MDL Number	MFCD00002418
SMILES	OC(=O)C1=C(Cl)C=CC=C1Cl
Synonym	benzoic acid, 2,6-dichloro,2,6-dichloro-benzoic acid,unii-634ri764qt,2,6 dichlorobenzoic acid,2,6-dichlorobenzoicacid,2,6-dichloro-benzoicacid,ccris 8610,pubchem20028,acmc-1auop,2.6-dichlorobenzoic acid
IUPAC Name	2,6-dichlorobenzoic acid
InChI Key	MRUDNSFOFOQZDA-UHFFFAOYSA-N
Molecular Formula	C7H4Cl2O2

3,152

2,5-Dichlorobenzoic acid, 97%

CAS: 50-79-3 Molecular Formula: C7H4Cl2O2 Molecular Weight (g/mol): 191.01 MDL Number: MFCD00002416 InChI Key: QVTQYSFCFOGITD-UHFFFAOYSA-N Synonym: benzoic acid, 2,5-dichloro,unii-kp7cmr0gsd,2,5-dichlorobenzoicacid,kp7cmr0gsd,2,5-dichloro-benzoic acid,ccris 8609,pubchem3685,2,5dichlorobenzoic acid,wln: qvr bg eg,dsstox_cid_4978 PubChem CID: 5784 IUPAC Name: 2,5-dichlorobenzoic acid SMILES: OC(=O)C1=CC(Cl)=CC=C1Cl

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Specifications

PubChem CID	5784
CAS	50-79-3
Molecular Weight (g/mol)	191.01
MDL Number	MFCD00002416
SMILES	OC(=O)C1=CC(Cl)=CC=C1Cl
Synonym	benzoic acid, 2,5-dichloro,unii-kp7cmr0gsd,2,5-dichlorobenzoicacid,kp7cmr0gsd,2,5-dichloro-benzoic acid,ccris 8609,pubchem3685,2,5dichlorobenzoic acid,wln: qvr bg eg,dsstox_cid_4978
IUPAC Name	2,5-dichlorobenzoic acid
InChI Key	QVTQYSFCFOGITD-UHFFFAOYSA-N
Molecular Formula	C7H4Cl2O2

3,153

4-Trifluoromethylbenzoic anhydride, 97%

CAS: 25753-16-6 Molecular Formula: C16H8F6O3 Molecular Weight (g/mol): 362.227 MDL Number: MFCD00671577 InChI Key: FNAWJOBKLWLHTA-UHFFFAOYSA-N Synonym: 4-trifluoromethyl benzoic anhydride,tfba,4-trifluoromethylbenzoic anhydride,4-trifluoromethyl benzoyl 4-trifluoromethyl benzoate,benzoic acid,4-trifluoromethyl-, anhydride with 4-trifluoromethyl benzoic acid,acmc-1cg53,p-trifluoromethylbenzoic acid anhydride,bis 4-trifluoromethylbenzoic acid anhydride,benzoic acid, 4-trifluoromethyl-, anhydride PubChem CID: 2760733 IUPAC Name: [4-(trifluoromethyl)benzoyl] 4-(trifluoromethyl)benzoate SMILES: C1=CC(=CC=C1C(=O)OC(=O)C2=CC=C(C=C2)C(F)(F)F)C(F)(F)F

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Specifications

PubChem CID	2760733
CAS	25753-16-6
Molecular Weight (g/mol)	362.227
MDL Number	MFCD00671577
SMILES	C1=CC(=CC=C1C(=O)OC(=O)C2=CC=C(C=C2)C(F)(F)F)C(F)(F)F
Synonym	4-trifluoromethyl benzoic anhydride,tfba,4-trifluoromethylbenzoic anhydride,4-trifluoromethyl benzoyl 4-trifluoromethyl benzoate,benzoic acid,4-trifluoromethyl-, anhydride with 4-trifluoromethyl benzoic acid,acmc-1cg53,p-trifluoromethylbenzoic acid anhydride,bis 4-trifluoromethylbenzoic acid anhydride,benzoic acid, 4-trifluoromethyl-, anhydride
IUPAC Name	[4-(trifluoromethyl)benzoyl] 4-(trifluoromethyl)benzoate
InChI Key	FNAWJOBKLWLHTA-UHFFFAOYSA-N
Molecular Formula	C16H8F6O3

3,154

3,5-Bis(trifluoromethyl)styrene, 96%, stab.

CAS: 349-59-7 Molecular Formula: C10H6F6 Molecular Weight (g/mol): 240.15 MDL Number: MFCD00075538 InChI Key: LFICVUCVPKKPFF-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl styrene,1,3-bis trifluoromethyl-5-vinylbenzene,1-ethenyl-3,5-bis trifluoromethyl benzene,3,5-bis trifluoromethyl styrene, stab. with 4-methoxyphenol,pubchem2736,acmc-1cmtq,3,5-bis trifluromethyl styrene,1,3-bis-trifluoromethyl-5-vinyl-benzene,3,5-bis trifluoromethyl styrene, stab. PubChem CID: 2773242 IUPAC Name: 1-ethenyl-3,5-bis(trifluoromethyl)benzene SMILES: FC(F)(F)C1=CC(=CC(C=C)=C1)C(F)(F)F

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Specifications

PubChem CID	2773242
CAS	349-59-7
Molecular Weight (g/mol)	240.15
MDL Number	MFCD00075538
SMILES	FC(F)(F)C1=CC(=CC(C=C)=C1)C(F)(F)F
Synonym	3,5-bis trifluoromethyl styrene,1,3-bis trifluoromethyl-5-vinylbenzene,1-ethenyl-3,5-bis trifluoromethyl benzene,3,5-bis trifluoromethyl styrene, stab. with 4-methoxyphenol,pubchem2736,acmc-1cmtq,3,5-bis trifluromethyl styrene,1,3-bis-trifluoromethyl-5-vinyl-benzene,3,5-bis trifluoromethyl styrene, stab.
IUPAC Name	1-ethenyl-3,5-bis(trifluoromethyl)benzene
InChI Key	LFICVUCVPKKPFF-UHFFFAOYSA-N
Molecular Formula	C10H6F6

3,155

4-Fluoro-2(trifluoromethyl)benzoic acid, 98%, Thermo Scientific™

CAS: 141179-72-8 Molecular Formula: C8H3F4O2 Molecular Weight (g/mol): 207.10 MDL Number: MFCD00040982 InChI Key: JUHPDXOIGLHXTC-UHFFFAOYSA-M Synonym: 4-fluoro-2-trifluoromethyl benzoic acid,4-fluoro-2 trifluoromethyl benzoic acid,alpha,alpha,alpha,4-tetrafluoro-o-toluic acid,benzoic acid, 4-fluoro-2-trifluoromethyl,4-fluoro-2-trifluoromethyl benzoicacid,pubchem4971,acmc-209clt,intermediates-zcf02077,ksc183o7t PubChem CID: 688255 SMILES: [O-]C(=O)C1=CC=C(F)C=C1C(F)(F)F

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Specifications

PubChem CID	688255
CAS	141179-72-8
Molecular Weight (g/mol)	207.10
MDL Number	MFCD00040982
SMILES	[O-]C(=O)C1=CC=C(F)C=C1C(F)(F)F
Synonym	4-fluoro-2-trifluoromethyl benzoic acid,4-fluoro-2 trifluoromethyl benzoic acid,alpha,alpha,alpha,4-tetrafluoro-o-toluic acid,benzoic acid, 4-fluoro-2-trifluoromethyl,4-fluoro-2-trifluoromethyl benzoicacid,pubchem4971,acmc-209clt,intermediates-zcf02077,ksc183o7t
InChI Key	JUHPDXOIGLHXTC-UHFFFAOYSA-M
Molecular Formula	C8H3F4O2

3,156

3-(Trifluoromethyl)aniline, 99%

CAS: 98-16-8 Molecular Formula: C7H6F3N Molecular Weight (g/mol): 161.127 MDL Number: MFCD00007797 InChI Key: VIUDTWATMPPKEL-UHFFFAOYSA-N Synonym: 3-trifluoromethyl aniline,3-aminobenzotrifluoride,m-aminobenzotrifluoride,3-aminotrifluorotoluene,benzenamine, 3-trifluoromethyl,3-trifluoromethyl benzenamine,m-abtf,m-trifluoromethylaniline,m-amino trifluorotoluene,m-trifluoromethyl aniline PubChem CID: 7375 IUPAC Name: 3-(trifluoromethyl)aniline SMILES: C1=CC(=CC(=C1)N)C(F)(F)F

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Specifications

PubChem CID	7375
CAS	98-16-8
Molecular Weight (g/mol)	161.127
MDL Number	MFCD00007797
SMILES	C1=CC(=CC(=C1)N)C(F)(F)F
Synonym	3-trifluoromethyl aniline,3-aminobenzotrifluoride,m-aminobenzotrifluoride,3-aminotrifluorotoluene,benzenamine, 3-trifluoromethyl,3-trifluoromethyl benzenamine,m-abtf,m-trifluoromethylaniline,m-amino trifluorotoluene,m-trifluoromethyl aniline
IUPAC Name	3-(trifluoromethyl)aniline
InChI Key	VIUDTWATMPPKEL-UHFFFAOYSA-N
Molecular Formula	C7H6F3N

3,157

3-(Trifluoromethyl)benzylamine, 97%

CAS: 2740-83-2 Molecular Formula: C8H8F3N Molecular Weight (g/mol): 175.154 MDL Number: MFCD00008117 InChI Key: YKNZTUQUXUXTLE-UHFFFAOYSA-N Synonym: 3-trifluoromethyl benzylamine,3-trifluoromethyl phenyl methanamine,3-trifluoromethylbenzylamine,m-trifluoromethylbenzylamine,m-trifluoromethylbenzyl amine,3-trifluoromethyl benzyl amine,benzenemethanamine, 3-trifluoromethyl,3-trifluoromethyl-benzylamine,m-trifluoromethyl benzylamine PubChem CID: 75962 IUPAC Name: [3-(trifluoromethyl)phenyl]methanamine SMILES: C1=CC(=CC(=C1)C(F)(F)F)CN

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Specifications

PubChem CID	75962
CAS	2740-83-2
Molecular Weight (g/mol)	175.154
MDL Number	MFCD00008117
SMILES	C1=CC(=CC(=C1)C(F)(F)F)CN
Synonym	3-trifluoromethyl benzylamine,3-trifluoromethyl phenyl methanamine,3-trifluoromethylbenzylamine,m-trifluoromethylbenzylamine,m-trifluoromethylbenzyl amine,3-trifluoromethyl benzyl amine,benzenemethanamine, 3-trifluoromethyl,3-trifluoromethyl-benzylamine,m-trifluoromethyl benzylamine
IUPAC Name	[3-(trifluoromethyl)phenyl]methanamine
InChI Key	YKNZTUQUXUXTLE-UHFFFAOYSA-N
Molecular Formula	C8H8F3N

3,158

4-Chloro-3-(trifluoromethyl)phenyl isocyanate, 98%

CAS: 327-78-6 Molecular Formula: C₈H₃ClF₃NO Molecular Weight (g/mol): 221.56 MDL Number: MFCD00013874 InChI Key: NBJZEUQTGLSUOB-UHFFFAOYSA-N Synonym: 4-chloro-3-trifluoromethyl phenyl isocyanate,1-chloro-4-isocyanato-2-trifluoromethyl benzene,4-chloro-3-trifluoromethyl phenylisocyanate,benzene, 1-chloro-4-isocyanato-2-trifluoromethyl,4-chloro-3-trifluoromethylphenyl isocyanate,4-chloro-3-trifluoromethoxy phenyl isocyanate,1-chloro-4-isocyanato-2-trifluoromethyl-benzene,4-chloro-3-trifluoromethyl benzenisocyanate,3-trifluoromethyl-4-chloro-phenyl isocyanate,pubchem5027 PubChem CID: 2733265 IUPAC Name: 1-chloro-4-isocyanato-2-(trifluoromethyl)benzene SMILES: C1=CC(=C(C=C1N=C=O)C(F)(F)F)Cl

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Specifications

PubChem CID	2733265
CAS	327-78-6
Molecular Weight (g/mol)	221.56
MDL Number	MFCD00013874
SMILES	C1=CC(=C(C=C1N=C=O)C(F)(F)F)Cl
Synonym	4-chloro-3-trifluoromethyl phenyl isocyanate,1-chloro-4-isocyanato-2-trifluoromethyl benzene,4-chloro-3-trifluoromethyl phenylisocyanate,benzene, 1-chloro-4-isocyanato-2-trifluoromethyl,4-chloro-3-trifluoromethylphenyl isocyanate,4-chloro-3-trifluoromethoxy phenyl isocyanate,1-chloro-4-isocyanato-2-trifluoromethyl-benzene,4-chloro-3-trifluoromethyl benzenisocyanate,3-trifluoromethyl-4-chloro-phenyl isocyanate,pubchem5027
IUPAC Name	1-chloro-4-isocyanato-2-(trifluoromethyl)benzene
InChI Key	NBJZEUQTGLSUOB-UHFFFAOYSA-N
Molecular Formula	C₈H₃ClF₃NO

3,159

2-Methoxybenzyl alcohol, 99%

CAS: 612-16-8 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.166 MDL Number: MFCD00004611 InChI Key: WYLYBQSHRJMURN-UHFFFAOYSA-N Synonym: 2-methoxybenzyl alcohol,2-methoxyphenyl methanol,o-methoxybenzyl alcohol,benzenemethanol, 2-methoxy,o-anisyl alcohol,2-methoxybenzylalcohol,2-methoxybenzenemethanol,unii-457nq8ngcg,457nq8ngcg,2-methoxyphenyl methan-1-ol PubChem CID: 69154 IUPAC Name: (2-methoxyphenyl)methanol SMILES: COC1=CC=CC=C1CO

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Specifications

PubChem CID	69154
CAS	612-16-8
Molecular Weight (g/mol)	138.166
MDL Number	MFCD00004611
SMILES	COC1=CC=CC=C1CO
Synonym	2-methoxybenzyl alcohol,2-methoxyphenyl methanol,o-methoxybenzyl alcohol,benzenemethanol, 2-methoxy,o-anisyl alcohol,2-methoxybenzylalcohol,2-methoxybenzenemethanol,unii-457nq8ngcg,457nq8ngcg,2-methoxyphenyl methan-1-ol
IUPAC Name	(2-methoxyphenyl)methanol
InChI Key	WYLYBQSHRJMURN-UHFFFAOYSA-N
Molecular Formula	C8H10O2

3,160

2-[3-(Bromomethyl)phenyl]thiophene, ≥97%, Thermo Scientific™

CAS: 85553-44-2 Molecular Formula: C11H9BrS Molecular Weight (g/mol): 253.157 MDL Number: MFCD08435867 InChI Key: JQQDEBDYUAKNGD-UHFFFAOYSA-N Synonym: 2-3-bromomethyl phenyl thiophene,3-2-thienyl benzyl bromide,2-3-bromomethyl phenyl-thiophene PubChem CID: 13150400 IUPAC Name: 2-[3-(bromomethyl)phenyl]thiophene SMILES: C1=CC(=CC(=C1)CBr)C2=CC=CS2

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Specifications

PubChem CID	13150400
CAS	85553-44-2
Molecular Weight (g/mol)	253.157
MDL Number	MFCD08435867
SMILES	C1=CC(=CC(=C1)CBr)C2=CC=CS2
Synonym	2-3-bromomethyl phenyl thiophene,3-2-thienyl benzyl bromide,2-3-bromomethyl phenyl-thiophene
IUPAC Name	2-[3-(bromomethyl)phenyl]thiophene
InChI Key	JQQDEBDYUAKNGD-UHFFFAOYSA-N
Molecular Formula	C11H9BrS

3,161

alpha,alpha'-Dibromo-o-xylene, 96%

CAS: 91-13-4 Molecular Formula: C₈H₈Br₂ Molecular Weight (g/mol): 263.95 MDL Number: MFCD00000175 InChI Key: KGKAYWMGPDWLQZ-UHFFFAOYSA-N Synonym: 1,2-bis bromomethyl benzene,o-xylylene dibromide,alpha,alpha'-dibromo-o-xylene,benzene, 1,2-bis bromomethyl,o-bis bromomethyl benzene,o-xylylene bromide,1,2-dibenzyl bromide,alpha,alpha'-dibromo-o-xylol,a,a'-dibromo-o-xylene,ccris 1776 PubChem CID: 66665 IUPAC Name: 1,2-bis(bromomethyl)benzene SMILES: C1=CC=C(C(=C1)CBr)CBr

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Specifications

PubChem CID	66665
CAS	91-13-4
Molecular Weight (g/mol)	263.95
MDL Number	MFCD00000175
SMILES	C1=CC=C(C(=C1)CBr)CBr
Synonym	1,2-bis bromomethyl benzene,o-xylylene dibromide,alpha,alpha'-dibromo-o-xylene,benzene, 1,2-bis bromomethyl,o-bis bromomethyl benzene,o-xylylene bromide,1,2-dibenzyl bromide,alpha,alpha'-dibromo-o-xylol,a,a'-dibromo-o-xylene,ccris 1776
IUPAC Name	1,2-bis(bromomethyl)benzene
InChI Key	KGKAYWMGPDWLQZ-UHFFFAOYSA-N
Molecular Formula	C₈H₈Br₂

3,162

2-Bromobenzyl bromide, 98%

CAS: 3433-80-5 Molecular Formula: C₇H₆Br₂ Molecular Weight (g/mol): 249.93 MDL Number: MFCD00000173 InChI Key: LZSYGJNFCREHMD-UHFFFAOYSA-N Synonym: 2-bromobenzyl bromide,o-bromobenzyl bromide,1-bromo-2-bromomethyl benzene,2-bromobenzylbromide,alpha,2-dibromotoluene,benzene, 1-bromo-2-bromomethyl,alpha,o-dibromotoluene,benzene, bromo bromomethyl,alpha-2-dibromotoluene,a,o-dibromotoluene PubChem CID: 76965 IUPAC Name: 1-bromo-2-(bromomethyl)benzene SMILES: C1=CC=C(C(=C1)CBr)Br

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Specifications

PubChem CID	76965
CAS	3433-80-5
Molecular Weight (g/mol)	249.93
MDL Number	MFCD00000173
SMILES	C1=CC=C(C(=C1)CBr)Br
Synonym	2-bromobenzyl bromide,o-bromobenzyl bromide,1-bromo-2-bromomethyl benzene,2-bromobenzylbromide,alpha,2-dibromotoluene,benzene, 1-bromo-2-bromomethyl,alpha,o-dibromotoluene,benzene, bromo bromomethyl,alpha-2-dibromotoluene,a,o-dibromotoluene
IUPAC Name	1-bromo-2-(bromomethyl)benzene
InChI Key	LZSYGJNFCREHMD-UHFFFAOYSA-N
Molecular Formula	C₇H₆Br₂

3,163

[4-(Tetrahydropyran-4-yloxy)phenyl]methanol, 97%, Thermo Scientific™

CAS: 892501-95-0 Molecular Formula: C12H16O3 Molecular Weight (g/mol): 208.257 MDL Number: MFCD09064965 InChI Key: VFZJVDCLRTTYDL-UHFFFAOYSA-N Synonym: 4-tetrahydropyran-4-yloxy phenyl methanol,4-oxan-4-yloxy phenyl methanol,4-oxan-4-yl oxy phenyl methanol,4-tetrahydro-2h-pyran-4-yl oxy phenyl methanol,4-2h-3,4,5,6-tetrahydropyran-4-yloxy phenyl methan-1-ol PubChem CID: 24229523 IUPAC Name: [4-(oxan-4-yloxy)phenyl]methanol SMILES: C1COCCC1OC2=CC=C(C=C2)CO

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Specifications

PubChem CID	24229523
CAS	892501-95-0
Molecular Weight (g/mol)	208.257
MDL Number	MFCD09064965
SMILES	C1COCCC1OC2=CC=C(C=C2)CO
Synonym	4-tetrahydropyran-4-yloxy phenyl methanol,4-oxan-4-yloxy phenyl methanol,4-oxan-4-yl oxy phenyl methanol,4-tetrahydro-2h-pyran-4-yl oxy phenyl methanol,4-2h-3,4,5,6-tetrahydropyran-4-yloxy phenyl methan-1-ol
IUPAC Name	[4-(oxan-4-yloxy)phenyl]methanol
InChI Key	VFZJVDCLRTTYDL-UHFFFAOYSA-N
Molecular Formula	C12H16O3

3,164

4-Chlorobenzyl chloride, 98+%

CAS: 104-83-6 Molecular Formula: C7H6Cl2 Molecular Weight (g/mol): 161.025 MDL Number: MFCD00000914 InChI Key: JQZAEUFPPSRDOP-UHFFFAOYSA-N Synonym: 4-chlorobenzyl chloride,1-chloro-4-chloromethyl benzene,p-chlorobenzyl chloride,benzene, 1-chloro-4-chloromethyl,alpha,4-dichlorotoluene,4-chlorobenzylchloride,4-chlorophenyl methyl chloride,1-chloro-4-chloromethyl-benzene,alpha,p-dichlorotoluene,toluene, p,alpha-dichloro PubChem CID: 7723 IUPAC Name: 1-chloro-4-(chloromethyl)benzene SMILES: C1=CC(=CC=C1CCl)Cl

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Specifications

PubChem CID	7723
CAS	104-83-6
Molecular Weight (g/mol)	161.025
MDL Number	MFCD00000914
SMILES	C1=CC(=CC=C1CCl)Cl
Synonym	4-chlorobenzyl chloride,1-chloro-4-chloromethyl benzene,p-chlorobenzyl chloride,benzene, 1-chloro-4-chloromethyl,alpha,4-dichlorotoluene,4-chlorobenzylchloride,4-chlorophenyl methyl chloride,1-chloro-4-chloromethyl-benzene,alpha,p-dichlorotoluene,toluene, p,alpha-dichloro
IUPAC Name	1-chloro-4-(chloromethyl)benzene
InChI Key	JQZAEUFPPSRDOP-UHFFFAOYSA-N
Molecular Formula	C7H6Cl2

3,165

p-Xylylene dichloride, 98%

CAS: 623-25-6 Molecular Formula: C8H8Cl2 Molecular Weight (g/mol): 175.052 MDL Number: MFCD00000920 InChI Key: ZZHIDJWUJRKHGX-UHFFFAOYSA-N Synonym: 1,4-bis chloromethyl benzene,alpha,alpha'-dichloro-p-xylene,p-xylylene dichloride,p-xylylene chloride,benzene, 1,4-bis chloromethyl,p-bis chloromethyl benzene,benzene, p-bis chloromethyl,a,a'-dichloro-p-xylene,xylylene dichloride,ccris 1772 PubChem CID: 12171 IUPAC Name: 1,4-bis(chloromethyl)benzene SMILES: C1=CC(=CC=C1CCl)CCl

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Specifications

PubChem CID	12171
CAS	623-25-6
Molecular Weight (g/mol)	175.052
MDL Number	MFCD00000920
SMILES	C1=CC(=CC=C1CCl)CCl
Synonym	1,4-bis chloromethyl benzene,alpha,alpha'-dichloro-p-xylene,p-xylylene dichloride,p-xylylene chloride,benzene, 1,4-bis chloromethyl,p-bis chloromethyl benzene,benzene, p-bis chloromethyl,a,a'-dichloro-p-xylene,xylylene dichloride,ccris 1772
IUPAC Name	1,4-bis(chloromethyl)benzene
InChI Key	ZZHIDJWUJRKHGX-UHFFFAOYSA-N
Molecular Formula	C8H8Cl2

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