
Benzenoids





















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(S)-(-)-2-Methyl-CBS-oxazaborolidine, 1M solution in toluene, Thermo Scientific Chemicals
CAS: 108-88-3,112022-81-8 Molecular Formula: C18H20BNO Molecular Weight (g/mol): 277.17 MDL Number: MFCD00078439 InChI Key: VMKAFJQFKBASMU-KRWDZBQOSA-N Synonym: s-2-methyl-cbs-oxazaborolidine,s-methyl oxazaborolidine,s---2-methyl-cbs-oxazaborolidine,s-5,5-diphenyl-2-methyl-3,4-propano-1,3,2-oxazaborolidine,corey catalyst,s-methyl-cbs-oxazaborolidine,s-3,3-diphenyl-1-methylpyrrolidino 1,2-c-1,3,2-oxazaborole,s-me-cbs catalyst,s-methyl-cbs,s-me-cbs PubChem CID: 2734713 IUPAC Name: (3aS)-1-methyl-3,3-diphenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaborole SMILES: [H][C@@]12CCCN1B(C)OC2(C1=CC=CC=C1)C1=CC=CC=C1

PubChem CID | 2734713 |
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CAS | 108-88-3,112022-81-8 |
Molecular Weight (g/mol) | 277.17 |
MDL Number | MFCD00078439 |
SMILES | [H][C@@]12CCCN1B(C)OC2(C1=CC=CC=C1)C1=CC=CC=C1 |
Synonym | s-2-methyl-cbs-oxazaborolidine,s-methyl oxazaborolidine,s---2-methyl-cbs-oxazaborolidine,s-5,5-diphenyl-2-methyl-3,4-propano-1,3,2-oxazaborolidine,corey catalyst,s-methyl-cbs-oxazaborolidine,s-3,3-diphenyl-1-methylpyrrolidino 1,2-c-1,3,2-oxazaborole,s-me-cbs catalyst,s-methyl-cbs,s-me-cbs |
IUPAC Name | (3aS)-1-methyl-3,3-diphenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaborole |
InChI Key | VMKAFJQFKBASMU-KRWDZBQOSA-N |
Molecular Formula | C18H20BNO |
2-Benzoylbenzoic Acid, 98+%
CAS: 85-52-9 Molecular Formula: C14H10O3 Molecular Weight (g/mol): 226.23 MDL Number: MFCD00002472 InChI Key: FGTYTUFKXYPTML-UHFFFAOYSA-N Synonym: o-benzoylbenzoic acid,benzoic acid, 2-benzoyl,2-carboxybenzophenone,benzophenone-2-carboxylic acid,benzoic acid, o-benzoyl,o-carboxybenzophenone,benzophenone-2-carbonic acid,2-benzoquinonecarboxylic acid,benzoylbenzoic acid,2-phenylcarbonyl benzoic acid PubChem CID: 6813 IUPAC Name: 2-benzoylbenzoic acid SMILES: OC(=O)C1=CC=CC=C1C(=O)C1=CC=CC=C1

PubChem CID | 6813 |
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CAS | 85-52-9 |
Molecular Weight (g/mol) | 226.23 |
MDL Number | MFCD00002472 |
SMILES | OC(=O)C1=CC=CC=C1C(=O)C1=CC=CC=C1 |
Synonym | o-benzoylbenzoic acid,benzoic acid, 2-benzoyl,2-carboxybenzophenone,benzophenone-2-carboxylic acid,benzoic acid, o-benzoyl,o-carboxybenzophenone,benzophenone-2-carbonic acid,2-benzoquinonecarboxylic acid,benzoylbenzoic acid,2-phenylcarbonyl benzoic acid |
IUPAC Name | 2-benzoylbenzoic acid |
InChI Key | FGTYTUFKXYPTML-UHFFFAOYSA-N |
Molecular Formula | C14H10O3 |
Benzoic anhydride, 98%
CAS: 93-97-0 Molecular Formula: C14H10O3 Molecular Weight (g/mol): 226.23 MDL Number: MFCD00003073 InChI Key: CHIHQLCVLOXUJW-UHFFFAOYSA-N Synonym: benzoic anhydride,benzoic acid, anhydride,benzoyl anhydride,benzoylbenzoate,benzoic acid anhydride,benzoic acid, 1,1'-anhydride,phenyl anhydride,benzoesaeureanhydrid,unii-9k7x34fov2,phenylcarbonyl benzoate PubChem CID: 7167 ChEBI: CHEBI:38815 IUPAC Name: benzoyl benzoate SMILES: C1=CC=C(C=C1)C(=O)OC(=O)C2=CC=CC=C2

PubChem CID | 7167 |
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CAS | 93-97-0 |
Molecular Weight (g/mol) | 226.23 |
ChEBI | CHEBI:38815 |
MDL Number | MFCD00003073 |
SMILES | C1=CC=C(C=C1)C(=O)OC(=O)C2=CC=CC=C2 |
Synonym | benzoic anhydride,benzoic acid, anhydride,benzoyl anhydride,benzoylbenzoate,benzoic acid anhydride,benzoic acid, 1,1'-anhydride,phenyl anhydride,benzoesaeureanhydrid,unii-9k7x34fov2,phenylcarbonyl benzoate |
IUPAC Name | benzoyl benzoate |
InChI Key | CHIHQLCVLOXUJW-UHFFFAOYSA-N |
Molecular Formula | C14H10O3 |
Benzopinacole, 98%, Thermo Scientific Chemicals
CAS: 464-72-2 Molecular Formula: C26H22O2 Molecular Weight (g/mol): 366.45 MDL Number: MFCD00004448 InChI Key: MFEWNFVBWPABCX-UHFFFAOYSA-N Synonym: benzopinacol,benzopinacole,benzopinacone,benzpinacol,benzpinacone,tetraphenylethylene glycol,tetraphenyl-1,2-ethanediol,benzophenone pinacol,1,1,2,2-tetraphenyl-1,2-ethanediol,1,2-ethanediol, 1,1,2,2-tetraphenyl PubChem CID: 94766 IUPAC Name: 1,1,2,2-tetraphenylethane-1,2-diol SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O

PubChem CID | 94766 |
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CAS | 464-72-2 |
Molecular Weight (g/mol) | 366.45 |
MDL Number | MFCD00004448 |
SMILES | C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O |
Synonym | benzopinacol,benzopinacole,benzopinacone,benzpinacol,benzpinacone,tetraphenylethylene glycol,tetraphenyl-1,2-ethanediol,benzophenone pinacol,1,1,2,2-tetraphenyl-1,2-ethanediol,1,2-ethanediol, 1,1,2,2-tetraphenyl |
IUPAC Name | 1,1,2,2-tetraphenylethane-1,2-diol |
InChI Key | MFEWNFVBWPABCX-UHFFFAOYSA-N |
Molecular Formula | C26H22O2 |
Benzoylformic acid, 97%
CAS: 611-73-4 Molecular Formula: C8H6O3 Molecular Weight (g/mol): 150.13 MDL Number: MFCD00002575 InChI Key: FAQJJMHZNSSFSM-UHFFFAOYSA-N Synonym: benzoylformic acid,phenylglyoxylic acid,oxophenylacetic acid,benzeneglyoxylic acid,phenylgloxylic acid,2-phenylethanoic acid,oxo phenyl acetic acid,benzoylformate,phenylglyoxalate,phenyloxoacetic acid PubChem CID: 11915 ChEBI: CHEBI:18280 IUPAC Name: 2-oxo-2-phenylacetic acid SMILES: OC(=O)C(=O)C1=CC=CC=C1

PubChem CID | 11915 |
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CAS | 611-73-4 |
Molecular Weight (g/mol) | 150.13 |
ChEBI | CHEBI:18280 |
MDL Number | MFCD00002575 |
SMILES | OC(=O)C(=O)C1=CC=CC=C1 |
Synonym | benzoylformic acid,phenylglyoxylic acid,oxophenylacetic acid,benzeneglyoxylic acid,phenylgloxylic acid,2-phenylethanoic acid,oxo phenyl acetic acid,benzoylformate,phenylglyoxalate,phenyloxoacetic acid |
IUPAC Name | 2-oxo-2-phenylacetic acid |
InChI Key | FAQJJMHZNSSFSM-UHFFFAOYSA-N |
Molecular Formula | C8H6O3 |
4-Bromodiphenyl ether, 99%, Thermo Scientific™
CAS: 101-55-3 Molecular Formula: C12H9BrO Molecular Weight (g/mol): 249.11 InChI Key: JDUYPUMQALQRCN-UHFFFAOYSA-N Synonym: 4-bromodiphenyl ether,4-bromophenyl phenyl ether,4-bromophenoxybenzene,p-bromodiphenyl ether,p-phenoxybromobenzene,benzene, 1-bromo-4-phenoxy,p-bromophenyl phenyl ether,4-bromodiphenylether,p-bromophenoxybenzene,ether, p-bromophenyl phenyl PubChem CID: 7565 ChEBI: CHEBI:77421 IUPAC Name: 1-bromo-4-phenoxybenzene SMILES: C1=CC=C(C=C1)OC2=CC=C(C=C2)Br

PubChem CID | 7565 |
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CAS | 101-55-3 |
Molecular Weight (g/mol) | 249.11 |
ChEBI | CHEBI:77421 |
SMILES | C1=CC=C(C=C1)OC2=CC=C(C=C2)Br |
Synonym | 4-bromodiphenyl ether,4-bromophenyl phenyl ether,4-bromophenoxybenzene,p-bromodiphenyl ether,p-phenoxybromobenzene,benzene, 1-bromo-4-phenoxy,p-bromophenyl phenyl ether,4-bromodiphenylether,p-bromophenoxybenzene,ether, p-bromophenyl phenyl |
IUPAC Name | 1-bromo-4-phenoxybenzene |
InChI Key | JDUYPUMQALQRCN-UHFFFAOYSA-N |
Molecular Formula | C12H9BrO |
2-Bromofluorobenzene, 99%
CAS: 1072-85-1 Molecular Formula: C6H4BrF Molecular Weight (g/mol): 175 MDL Number: MFCD00000282 InChI Key: IPWBFGUBXWMIPR-UHFFFAOYSA-N Synonym: 2-bromofluorobenzene,o-bromofluorobenzene,2-fluorobromobenzene,o-fluorobromobenzene,2-bromfluorbenzen,benzene, 1-bromo-2-fluoro,1-fluoro-2-bromobenzene,benzene, 1-fluoro-2-bromo,ofbb,benzene, bromofluoro PubChem CID: 61259 IUPAC Name: 1-bromo-2-fluorobenzene SMILES: C1=CC=C(C(=C1)F)Br

PubChem CID | 61259 |
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CAS | 1072-85-1 |
Molecular Weight (g/mol) | 175 |
MDL Number | MFCD00000282 |
SMILES | C1=CC=C(C(=C1)F)Br |
Synonym | 2-bromofluorobenzene,o-bromofluorobenzene,2-fluorobromobenzene,o-fluorobromobenzene,2-bromfluorbenzen,benzene, 1-bromo-2-fluoro,1-fluoro-2-bromobenzene,benzene, 1-fluoro-2-bromo,ofbb,benzene, bromofluoro |
IUPAC Name | 1-bromo-2-fluorobenzene |
InChI Key | IPWBFGUBXWMIPR-UHFFFAOYSA-N |
Molecular Formula | C6H4BrF |
1-Bromo-2-naphthol, 98%
CAS: 573-97-7 Molecular Formula: C10H7BrO Molecular Weight (g/mol): 223.07 MDL Number: MFCD00003869 InChI Key: FQJZPYXGPYJJIH-UHFFFAOYSA-N Synonym: 1-bromo-2-naphthol,1-bromo-2-naphthalenol,wormin,2-naphthalenol, 1-bromo,disthemin,1-bromo-2-hydroxynaphthalene,1-brom-2-naphthol,unii-vke7l55pp9,1-brom-2-naphthol german,2-naphthol, 1-bromo PubChem CID: 11316 IUPAC Name: 1-bromonaphthalen-2-ol SMILES: C1=CC=C2C(=C1)C=CC(=C2Br)O

PubChem CID | 11316 |
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CAS | 573-97-7 |
Molecular Weight (g/mol) | 223.07 |
MDL Number | MFCD00003869 |
SMILES | C1=CC=C2C(=C1)C=CC(=C2Br)O |
Synonym | 1-bromo-2-naphthol,1-bromo-2-naphthalenol,wormin,2-naphthalenol, 1-bromo,disthemin,1-bromo-2-hydroxynaphthalene,1-brom-2-naphthol,unii-vke7l55pp9,1-brom-2-naphthol german,2-naphthol, 1-bromo |
IUPAC Name | 1-bromonaphthalen-2-ol |
InChI Key | FQJZPYXGPYJJIH-UHFFFAOYSA-N |
Molecular Formula | C10H7BrO |
4-Bromoresorcinol, 98%
CAS: 6626-15-9 Molecular Formula: C6H5BrO2 Molecular Weight (g/mol): 189.01 MDL Number: MFCD00002272 InChI Key: MPCCNXGZCOXPMG-UHFFFAOYSA-N Synonym: 4-bromoresorcinol,1-bromo-2,4-dihydroxybenzene,1,3-benzenediol, 4-bromo,4-bromo-1,3-dihydroxybenzene,4-bromo-benzene-1,3-diol,4-bromo-resorcinol,resorcinol, 4-bromo,acmc-209nuf,2,4-dihydroxybromobenzene PubChem CID: 81105 IUPAC Name: 4-bromobenzene-1,3-diol SMILES: C1=CC(=C(C=C1O)O)Br

PubChem CID | 81105 |
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CAS | 6626-15-9 |
Molecular Weight (g/mol) | 189.01 |
MDL Number | MFCD00002272 |
SMILES | C1=CC(=C(C=C1O)O)Br |
Synonym | 4-bromoresorcinol,1-bromo-2,4-dihydroxybenzene,1,3-benzenediol, 4-bromo,4-bromo-1,3-dihydroxybenzene,4-bromo-benzene-1,3-diol,4-bromo-resorcinol,resorcinol, 4-bromo,acmc-209nuf,2,4-dihydroxybromobenzene |
IUPAC Name | 4-bromobenzene-1,3-diol |
InChI Key | MPCCNXGZCOXPMG-UHFFFAOYSA-N |
Molecular Formula | C6H5BrO2 |
4-Bromo-3,5-dimethylphenol, 99%
CAS: 7463-51-6 Molecular Formula: C8H9BrO Molecular Weight (g/mol): 201.06 MDL Number: MFCD00002315 InChI Key: WMUWDPLTTLJNPE-UHFFFAOYSA-N Synonym: 4-bromo-3,5-xylenol,4-bromo-3,5-dimethyl phenol,phenol, 4-bromo-3,5-dimethyl,3,5-dimethyl-4-bromophenol,4-bromo-3,5-dimethyl-phenol,zlchem 241,pubchem3767,acmc-209ovl,3,5-xylenol, 4-bromo,akos bbb/606 PubChem CID: 81970 IUPAC Name: 4-bromo-3,5-dimethylphenol SMILES: CC1=CC(=CC(=C1Br)C)O

PubChem CID | 81970 |
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CAS | 7463-51-6 |
Molecular Weight (g/mol) | 201.06 |
MDL Number | MFCD00002315 |
SMILES | CC1=CC(=CC(=C1Br)C)O |
Synonym | 4-bromo-3,5-xylenol,4-bromo-3,5-dimethyl phenol,phenol, 4-bromo-3,5-dimethyl,3,5-dimethyl-4-bromophenol,4-bromo-3,5-dimethyl-phenol,zlchem 241,pubchem3767,acmc-209ovl,3,5-xylenol, 4-bromo,akos bbb/606 |
IUPAC Name | 4-bromo-3,5-dimethylphenol |
InChI Key | WMUWDPLTTLJNPE-UHFFFAOYSA-N |
Molecular Formula | C8H9BrO |
4-Cyanobenzaldehyde, 98%
CAS: 105-07-7 Molecular Formula: C8H5NO Molecular Weight (g/mol): 131.13 MDL Number: MFCD00003376 InChI Key: WZWIQYMTQZCSKI-UHFFFAOYSA-N Synonym: 4-cyanobenzaldehyde,benzonitrile, 4-formyl,p-cyanobenzaldehyde,p-formylbenzonitrile,benzaldehyde, p-cyano,benzonitrile, p-formyl,usaf kf-1,terephthalaldehydonitrile,p-cyanobenzenecarboxaldehyde,4-formyl-benzonitrile PubChem CID: 66042 IUPAC Name: 4-formylbenzonitrile SMILES: O=CC1=CC=C(C=C1)C#N

PubChem CID | 66042 |
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CAS | 105-07-7 |
Molecular Weight (g/mol) | 131.13 |
MDL Number | MFCD00003376 |
SMILES | O=CC1=CC=C(C=C1)C#N |
Synonym | 4-cyanobenzaldehyde,benzonitrile, 4-formyl,p-cyanobenzaldehyde,p-formylbenzonitrile,benzaldehyde, p-cyano,benzonitrile, p-formyl,usaf kf-1,terephthalaldehydonitrile,p-cyanobenzenecarboxaldehyde,4-formyl-benzonitrile |
IUPAC Name | 4-formylbenzonitrile |
InChI Key | WZWIQYMTQZCSKI-UHFFFAOYSA-N |
Molecular Formula | C8H5NO |
Cinnamyl bromide, 97%, predominantly trans
CAS: 4392-24-9 Molecular Formula: C9H9Br Molecular Weight (g/mol): 197.07 MDL Number: MFCD00000245 InChI Key: RUROFEVDCUGKHD-QPJJXVBHSA-N Synonym: cinnamyl bromide,3-bromoprop-1-en-1-yl benzene,e-3-bromoprop-1-en-1-yl benzene,3-bromo-1-phenyl-1-propene,3-bromo-1-phenyl propene-1,e-3-bromoprop-1-enyl benzene,3-bromo-propenyl-benzene,e-cinnamyl bromide,trans-cinnamyl bromide PubChem CID: 5357478 IUPAC Name: [(E)-3-bromoprop-1-enyl]benzene SMILES: C1=CC=C(C=C1)C=CCBr

PubChem CID | 5357478 |
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CAS | 4392-24-9 |
Molecular Weight (g/mol) | 197.07 |
MDL Number | MFCD00000245 |
SMILES | C1=CC=C(C=C1)C=CCBr |
Synonym | cinnamyl bromide,3-bromoprop-1-en-1-yl benzene,e-3-bromoprop-1-en-1-yl benzene,3-bromo-1-phenyl-1-propene,3-bromo-1-phenyl propene-1,e-3-bromoprop-1-enyl benzene,3-bromo-propenyl-benzene,e-cinnamyl bromide,trans-cinnamyl bromide |
IUPAC Name | [(E)-3-bromoprop-1-enyl]benzene |
InChI Key | RUROFEVDCUGKHD-QPJJXVBHSA-N |
Molecular Formula | C9H9Br |
3,5-Diaminobenzoic acid, 98%
CAS: 535-87-5 Molecular Formula: C7H8N2O2 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00007807 InChI Key: UENRXLSRMCSUSN-UHFFFAOYSA-N Synonym: benzoic acid, 3,5-diamino,1-carboxy-3,5-diaminobenzene,ccris 2885,3,5-diamino benzoic acid,3,5-diaminobenzoicacid,dabz,pubchem21025,3,5-diaminebenzoicacid,acmc-1awxi,3,5-diamino-benzoic acid PubChem CID: 12062 IUPAC Name: 3,5-diaminobenzoic acid SMILES: C1=C(C=C(C=C1N)N)C(=O)O

PubChem CID | 12062 |
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CAS | 535-87-5 |
Molecular Weight (g/mol) | 152.15 |
MDL Number | MFCD00007807 |
SMILES | C1=C(C=C(C=C1N)N)C(=O)O |
Synonym | benzoic acid, 3,5-diamino,1-carboxy-3,5-diaminobenzene,ccris 2885,3,5-diamino benzoic acid,3,5-diaminobenzoicacid,dabz,pubchem21025,3,5-diaminebenzoicacid,acmc-1awxi,3,5-diamino-benzoic acid |
IUPAC Name | 3,5-diaminobenzoic acid |
InChI Key | UENRXLSRMCSUSN-UHFFFAOYSA-N |
Molecular Formula | C7H8N2O2 |
2,4-Dichlorobenzylamine, 98%
CAS: 95-00-1 Molecular Formula: C7H7Cl2N Molecular Weight (g/mol): 176.04 MDL Number: MFCD00008109 InChI Key: SJUKJZSTBBSGHF-UHFFFAOYSA-N Synonym: 2,4-dichlorobenzylamine,2,4-dichlorophenyl methanamine,benzenemethanamine, 2,4-dichloro,benzylamine, 2,4-dichloro,2,4-dichlorobenzyl amine,1-2,4-dichlorophenyl methanamine,2,4-dichloro-benzylamine,2,4-dichlorophenyl methylamine,o,p-dichlorobenzylamine,acmc-209rur PubChem CID: 1485 IUPAC Name: (2,4-dichlorophenyl)methanamine SMILES: NCC1=CC=C(Cl)C=C1Cl

PubChem CID | 1485 |
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CAS | 95-00-1 |
Molecular Weight (g/mol) | 176.04 |
MDL Number | MFCD00008109 |
SMILES | NCC1=CC=C(Cl)C=C1Cl |
Synonym | 2,4-dichlorobenzylamine,2,4-dichlorophenyl methanamine,benzenemethanamine, 2,4-dichloro,benzylamine, 2,4-dichloro,2,4-dichlorobenzyl amine,1-2,4-dichlorophenyl methanamine,2,4-dichloro-benzylamine,2,4-dichlorophenyl methylamine,o,p-dichlorobenzylamine,acmc-209rur |
IUPAC Name | (2,4-dichlorophenyl)methanamine |
InChI Key | SJUKJZSTBBSGHF-UHFFFAOYSA-N |
Molecular Formula | C7H7Cl2N |
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

PubChem CID | 66665 |
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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 |