Benzene and substituted derivatives
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Triethyl Orthobenzoate 97.0+%, TCI America™
CAS: 1663-61-2 Molecular Formula: C13H20O3 Molecular Weight (g/mol): 224.3 MDL Number: MFCD00009222 InChI Key: BQFPCTXLBRVFJL-UHFFFAOYSA-N Synonym: triethoxymethyl benzene,triethyl orthobenzoate,ethyl orthobenzoate,benzene, triethoxymethyl,triethylorthobenzoate,orthobenzoic acid, triethyl ester,orthobenzoic acid triethyl ester,triethoxymethyl benzol,triethoxyphenylmethane PubChem CID: 74268 IUPAC Name: triethoxymethylbenzene SMILES: CCOC(C1=CC=CC=C1)(OCC)OCC
| PubChem CID | 74268 |
|---|---|
| CAS | 1663-61-2 |
| Molecular Weight (g/mol) | 224.3 |
| MDL Number | MFCD00009222 |
| SMILES | CCOC(C1=CC=CC=C1)(OCC)OCC |
| Synonym | triethoxymethyl benzene,triethyl orthobenzoate,ethyl orthobenzoate,benzene, triethoxymethyl,triethylorthobenzoate,orthobenzoic acid, triethyl ester,orthobenzoic acid triethyl ester,triethoxymethyl benzol,triethoxyphenylmethane |
| IUPAC Name | triethoxymethylbenzene |
| InChI Key | BQFPCTXLBRVFJL-UHFFFAOYSA-N |
| Molecular Formula | C13H20O3 |
2,3,4-Trifluorobenzoyl Chloride 98.0+%, TCI America™
CAS: 157373-08-5 Molecular Formula: C7H2ClF3O Molecular Weight (g/mol): 194.537 MDL Number: MFCD00075078 InChI Key: NXRQXCFBZGIRGN-UHFFFAOYSA-N Synonym: 2,3,4-trifluorobenzoylchloride,2,3,4-trifluoro-benzoyl chloride,benzoyl chloride, 2,3,4-trifluoro,benzoyl chloride, 2,3,4-trifluoro-9ci,trifluorobenzoylchloride,trifluorobenzoyl chloride,intermediates-zcf02190,acmc-209dg2,2,3,4-trifluorobenzoyl chloride PubChem CID: 2734022 IUPAC Name: 2,3,4-trifluorobenzoyl chloride SMILES: C1=CC(=C(C(=C1C(=O)Cl)F)F)F
| PubChem CID | 2734022 |
|---|---|
| CAS | 157373-08-5 |
| Molecular Weight (g/mol) | 194.537 |
| MDL Number | MFCD00075078 |
| SMILES | C1=CC(=C(C(=C1C(=O)Cl)F)F)F |
| Synonym | 2,3,4-trifluorobenzoylchloride,2,3,4-trifluoro-benzoyl chloride,benzoyl chloride, 2,3,4-trifluoro,benzoyl chloride, 2,3,4-trifluoro-9ci,trifluorobenzoylchloride,trifluorobenzoyl chloride,intermediates-zcf02190,acmc-209dg2,2,3,4-trifluorobenzoyl chloride |
| IUPAC Name | 2,3,4-trifluorobenzoyl chloride |
| InChI Key | NXRQXCFBZGIRGN-UHFFFAOYSA-N |
| Molecular Formula | C7H2ClF3O |
| PubChem CID | 2778654 |
|---|---|
| CAS | 248270-25-9 |
| Molecular Weight (g/mol) | 167.93 |
| MDL Number | MFCD02093051 |
| Color | White-Yellow |
| Physical Form | Crystalline Powder |
| SMILES | B(C1=CC(=C(C=C1)C=O)F)(O)O |
| TSCA | No |
| IUPAC Name | (3-fluoro-4-formylphenyl)boronic acid |
| InChI Key | NZNRMUVHUVCIBR-UHFFFAOYSA-N |
| Molecular Formula | C7H6BFO3 |
| Formula Weight | 167.93 |
| Melting Point | 240°C |
Methyl Phenyl Sulfone 97.0+%, TCI America™
CAS: 3112-85-4 Molecular Formula: C7H8O2S Molecular Weight (g/mol): 156.199 MDL Number: MFCD00014741 InChI Key: JCDWETOKTFWTHA-UHFFFAOYSA-N Synonym: methyl phenyl sulfone,methylsulfonyl benzene,phenyl methyl sulfone,benzene, methylsulfonyl,sulfone, methyl phenyl,phenylsulfonyl methane,methylphenylsulfone,methylsulphonyl benzene,methanesulfonylbenzene,methyl phenyl sulphone PubChem CID: 18369 IUPAC Name: methylsulfonylbenzene SMILES: CS(=O)(=O)C1=CC=CC=C1
| PubChem CID | 18369 |
|---|---|
| CAS | 3112-85-4 |
| Molecular Weight (g/mol) | 156.199 |
| MDL Number | MFCD00014741 |
| SMILES | CS(=O)(=O)C1=CC=CC=C1 |
| Synonym | methyl phenyl sulfone,methylsulfonyl benzene,phenyl methyl sulfone,benzene, methylsulfonyl,sulfone, methyl phenyl,phenylsulfonyl methane,methylphenylsulfone,methylsulphonyl benzene,methanesulfonylbenzene,methyl phenyl sulphone |
| IUPAC Name | methylsulfonylbenzene |
| InChI Key | JCDWETOKTFWTHA-UHFFFAOYSA-N |
| Molecular Formula | C7H8O2S |
4-Methoxyphenylhydrazine Hydrochloride 98.0+%, TCI America™
CAS: 19501-58-7 Molecular Formula: C7H11ClN2O Molecular Weight (g/mol): 174.628 MDL Number: MFCD00012945 InChI Key: FQHCPFMTXFJZJS-UHFFFAOYSA-N Synonym: 4-methoxyphenylhydrazine hydrochloride,4-methoxyphenyl hydrazine hydrochloride,4-anisylhydrazine hydrochloride,4-methoxyphenylhydrazine hcl,p-methoxyphenylhydrazine hydrochloride,4-methoxyphenylhydrazine.hcl,1-4-methoxyphenyl hydrazine hydrochloride,p-anisylhydrazine hydrochloride,4-hydrazinoanisole hydrochloride,hydrazine, 4-methoxyphenyl-, monohydrochloride PubChem CID: 2723904 IUPAC Name: (4-methoxyphenyl)hydrazine;hydrochloride SMILES: COC1=CC=C(C=C1)NN.Cl
| PubChem CID | 2723904 |
|---|---|
| CAS | 19501-58-7 |
| Molecular Weight (g/mol) | 174.628 |
| MDL Number | MFCD00012945 |
| SMILES | COC1=CC=C(C=C1)NN.Cl |
| Synonym | 4-methoxyphenylhydrazine hydrochloride,4-methoxyphenyl hydrazine hydrochloride,4-anisylhydrazine hydrochloride,4-methoxyphenylhydrazine hcl,p-methoxyphenylhydrazine hydrochloride,4-methoxyphenylhydrazine.hcl,1-4-methoxyphenyl hydrazine hydrochloride,p-anisylhydrazine hydrochloride,4-hydrazinoanisole hydrochloride,hydrazine, 4-methoxyphenyl-, monohydrochloride |
| IUPAC Name | (4-methoxyphenyl)hydrazine;hydrochloride |
| InChI Key | FQHCPFMTXFJZJS-UHFFFAOYSA-N |
| Molecular Formula | C7H11ClN2O |
Benzylamine Hydrobromide 98.0+%, TCI America™
CAS: 37488-40-7 Molecular Formula: C7H10BrN Molecular Weight (g/mol): 188.068 MDL Number: MFCD00035434 InChI Key: QJFMCHRSDOLMHA-UHFFFAOYSA-N Synonym: Benzylammonium Bromide PubChem CID: 12998568 IUPAC Name: phenylmethanamine;hydrobromide SMILES: C1=CC=C(C=C1)CN.Br
| PubChem CID | 12998568 |
|---|---|
| CAS | 37488-40-7 |
| Molecular Weight (g/mol) | 188.068 |
| MDL Number | MFCD00035434 |
| SMILES | C1=CC=C(C=C1)CN.Br |
| Synonym | Benzylammonium Bromide |
| IUPAC Name | phenylmethanamine;hydrobromide |
| InChI Key | QJFMCHRSDOLMHA-UHFFFAOYSA-N |
| Molecular Formula | C7H10BrN |
Bis(4-formylphenyl) Ether 98.0+%, TCI America™
CAS: 2215-76-1 Molecular Formula: C14H10O3 Molecular Weight (g/mol): 226.23 MDL Number: MFCD08276812 InChI Key: GXZZHLULZRMUQC-UHFFFAOYSA-N PubChem CID: 11368119 IUPAC Name: 4-(4-formylphenoxy)benzaldehyde SMILES: O=CC1=CC=C(OC2=CC=C(C=O)C=C2)C=C1
| PubChem CID | 11368119 |
|---|---|
| CAS | 2215-76-1 |
| Molecular Weight (g/mol) | 226.23 |
| MDL Number | MFCD08276812 |
| SMILES | O=CC1=CC=C(OC2=CC=C(C=O)C=C2)C=C1 |
| IUPAC Name | 4-(4-formylphenoxy)benzaldehyde |
| InChI Key | GXZZHLULZRMUQC-UHFFFAOYSA-N |
| Molecular Formula | C14H10O3 |
1-Bromo-4-cyclohexylbenzene 97.0+%, TCI America™
CAS: 25109-28-8 Molecular Formula: C12H15Br Molecular Weight (g/mol): 239.156 InChI Key: LVIJLEREXMVRAN-UHFFFAOYSA-N Synonym: p-bromocyclohexylbenzene,1-brom-4-cyclohexylbenzol,zlchem 88,4-cyclohexylbromobenzene,4-bromophenylcyclohexane,acmc-1ccsm,4-bromo-1-cyclohexylbenzene,1-bromo-4-cyclohexyl-benzene,benzene, 1-bromo-4-cyclohexyl,lvijlerexmvran-uhfffaoysa PubChem CID: 90718 IUPAC Name: 1-bromo-4-cyclohexylbenzene SMILES: C1CCC(CC1)C2=CC=C(C=C2)Br
| PubChem CID | 90718 |
|---|---|
| CAS | 25109-28-8 |
| Molecular Weight (g/mol) | 239.156 |
| SMILES | C1CCC(CC1)C2=CC=C(C=C2)Br |
| Synonym | p-bromocyclohexylbenzene,1-brom-4-cyclohexylbenzol,zlchem 88,4-cyclohexylbromobenzene,4-bromophenylcyclohexane,acmc-1ccsm,4-bromo-1-cyclohexylbenzene,1-bromo-4-cyclohexyl-benzene,benzene, 1-bromo-4-cyclohexyl,lvijlerexmvran-uhfffaoysa |
| IUPAC Name | 1-bromo-4-cyclohexylbenzene |
| InChI Key | LVIJLEREXMVRAN-UHFFFAOYSA-N |
| Molecular Formula | C12H15Br |
3-Bromo-2-methylbenzoic Acid 98.0+%, TCI America™
CAS: 76006-33-2 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.05 MDL Number: MFCD00270097 InChI Key: BJGKVCKGUBYULR-UHFFFAOYSA-N Synonym: 3-bromo-o-toluic acid,2-methyl-3-bromobenzoic acid,3-bromo-2-methyl-benzoic acid,benzoic acid, 3-bromo-2-methyl,pubchem4717,bromo-methylbenzoic acid,2-bromo-6-carboxytoluene,3-bromo-2-methybenzoic acid,3-bromo-2-methylbenzoicacid,ksc377a4p PubChem CID: 2735590 IUPAC Name: 3-bromo-2-methylbenzoic acid SMILES: CC1=C(C=CC=C1Br)C(O)=O
| PubChem CID | 2735590 |
|---|---|
| CAS | 76006-33-2 |
| Molecular Weight (g/mol) | 215.05 |
| MDL Number | MFCD00270097 |
| SMILES | CC1=C(C=CC=C1Br)C(O)=O |
| Synonym | 3-bromo-o-toluic acid,2-methyl-3-bromobenzoic acid,3-bromo-2-methyl-benzoic acid,benzoic acid, 3-bromo-2-methyl,pubchem4717,bromo-methylbenzoic acid,2-bromo-6-carboxytoluene,3-bromo-2-methybenzoic acid,3-bromo-2-methylbenzoicacid,ksc377a4p |
| IUPAC Name | 3-bromo-2-methylbenzoic acid |
| InChI Key | BJGKVCKGUBYULR-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrO2 |
Ethyl 3,4-Dihydroxybenzoate 98.0+%, TCI America™
CAS: 3943-89-3 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.18 MDL Number: MFCD00002199 InChI Key: KBPUBCVJHFXPOC-UHFFFAOYSA-N Synonym: ethyl protocatechuate,3,4-dihydroxybenzoic acid ethyl ester,ethyl-3,4-dihydroxybenzoate,unii-4ygj96wtbg,benzoic acid, 3,4-dihydroxy-, ethyl ester,edhb,protocatechuic acid ethyl ester,4ygj96wtbg,3,4-dihydroxy-benzoic acid ethyl ester PubChem CID: 77547 IUPAC Name: ethyl 3,4-dihydroxybenzoate SMILES: CCOC(=O)C1=CC=C(O)C(O)=C1
| PubChem CID | 77547 |
|---|---|
| CAS | 3943-89-3 |
| Molecular Weight (g/mol) | 182.18 |
| MDL Number | MFCD00002199 |
| SMILES | CCOC(=O)C1=CC=C(O)C(O)=C1 |
| Synonym | ethyl protocatechuate,3,4-dihydroxybenzoic acid ethyl ester,ethyl-3,4-dihydroxybenzoate,unii-4ygj96wtbg,benzoic acid, 3,4-dihydroxy-, ethyl ester,edhb,protocatechuic acid ethyl ester,4ygj96wtbg,3,4-dihydroxy-benzoic acid ethyl ester |
| IUPAC Name | ethyl 3,4-dihydroxybenzoate |
| InChI Key | KBPUBCVJHFXPOC-UHFFFAOYSA-N |
| Molecular Formula | C9H10O4 |
4-(4-Chlorophenoxy)benzaldehyde 98.0+%, TCI America™
CAS: 61343-99-5 Molecular Formula: C13H9ClO2 Molecular Weight (g/mol): 232.66 MDL Number: MFCD01631895 InChI Key: BLCXBCYVCDPFEU-UHFFFAOYSA-N Synonym: 4-4-chlorophenoxy benzaldehyde,4-chloro-4'-formyldiphenyl ether,acmc-1b4h0,4-4-chlorophoxy benzaldehyde,blcxbcyvcdpfeu-uhfffaoysa,4-4-chloranylphenoxy benzaldehyde,benzaldehyde,4-4-chlorophenoxy PubChem CID: 3851764 IUPAC Name: 4-(4-chlorophenoxy)benzaldehyde SMILES: ClC1=CC=C(OC2=CC=C(C=O)C=C2)C=C1
| PubChem CID | 3851764 |
|---|---|
| CAS | 61343-99-5 |
| Molecular Weight (g/mol) | 232.66 |
| MDL Number | MFCD01631895 |
| SMILES | ClC1=CC=C(OC2=CC=C(C=O)C=C2)C=C1 |
| Synonym | 4-4-chlorophenoxy benzaldehyde,4-chloro-4'-formyldiphenyl ether,acmc-1b4h0,4-4-chlorophoxy benzaldehyde,blcxbcyvcdpfeu-uhfffaoysa,4-4-chloranylphenoxy benzaldehyde,benzaldehyde,4-4-chlorophenoxy |
| IUPAC Name | 4-(4-chlorophenoxy)benzaldehyde |
| InChI Key | BLCXBCYVCDPFEU-UHFFFAOYSA-N |
| Molecular Formula | C13H9ClO2 |
2-Bromo-5-fluorobenzotrifluoride 97.0+%, TCI America™
CAS: 40161-55-5 Molecular Formula: C7H3BrF4 Molecular Weight (g/mol): 243.00 MDL Number: MFCD00040937 InChI Key: AIDVAZGOACECLJ-UHFFFAOYSA-N Synonym: 2-bromo-5-fluorobenzotrifluoride,1-bromo-4-fluoro-2-trifluoromethyl benzene,1-bromo-2-trifluoromethyl-4-fluorobenzene,4-fluoro-2-trifluoromethyl bromobenzene,2-bromo-alpha,alpha,alpha,5-tetrafluorotoluene,benzene, 1-bromo-4-fluoro-2-trifluoromethyl,2-bromo-5-fluoro benzotrifluoride,pubchem1637,pubchem1643 PubChem CID: 520983 IUPAC Name: 1-bromo-4-fluoro-2-(trifluoromethyl)benzene SMILES: FC1=CC(=C(Br)C=C1)C(F)(F)F
| PubChem CID | 520983 |
|---|---|
| CAS | 40161-55-5 |
| Molecular Weight (g/mol) | 243.00 |
| MDL Number | MFCD00040937 |
| SMILES | FC1=CC(=C(Br)C=C1)C(F)(F)F |
| Synonym | 2-bromo-5-fluorobenzotrifluoride,1-bromo-4-fluoro-2-trifluoromethyl benzene,1-bromo-2-trifluoromethyl-4-fluorobenzene,4-fluoro-2-trifluoromethyl bromobenzene,2-bromo-alpha,alpha,alpha,5-tetrafluorotoluene,benzene, 1-bromo-4-fluoro-2-trifluoromethyl,2-bromo-5-fluoro benzotrifluoride,pubchem1637,pubchem1643 |
| IUPAC Name | 1-bromo-4-fluoro-2-(trifluoromethyl)benzene |
| InChI Key | AIDVAZGOACECLJ-UHFFFAOYSA-N |
| Molecular Formula | C7H3BrF4 |
1-Bromo-3-iodobenzene (stabilized with Copper chip) 97.0+%, TCI America™
CAS: 591-18-4 Molecular Formula: C6H4BrI Molecular Weight (g/mol): 282.91 MDL Number: MFCD00001043 InChI Key: CTPUUDQIXKUAMO-UHFFFAOYSA-N Synonym: 3-bromoiodobenzene,benzene, 1-bromo-3-iodo,m-bromoiodobenzene,1-bromo-3-iodo-benzene,3-bromo-1-iodobenzene,attercop-chm at127411,m-bromjodbenzol,3-iodobromobenzene,3-bromo iodobenzene PubChem CID: 11561 IUPAC Name: 1-bromo-3-iodobenzene SMILES: BrC1=CC=CC(I)=C1
| PubChem CID | 11561 |
|---|---|
| CAS | 591-18-4 |
| Molecular Weight (g/mol) | 282.91 |
| MDL Number | MFCD00001043 |
| SMILES | BrC1=CC=CC(I)=C1 |
| Synonym | 3-bromoiodobenzene,benzene, 1-bromo-3-iodo,m-bromoiodobenzene,1-bromo-3-iodo-benzene,3-bromo-1-iodobenzene,attercop-chm at127411,m-bromjodbenzol,3-iodobromobenzene,3-bromo iodobenzene |
| IUPAC Name | 1-bromo-3-iodobenzene |
| InChI Key | CTPUUDQIXKUAMO-UHFFFAOYSA-N |
| Molecular Formula | C6H4BrI |
4-Iodophenoxyacetic Acid 97.0+%, TCI America™
CAS: 1878-94-0 Molecular Formula: C8H7IO3 Molecular Weight (g/mol): 278.045 InChI Key: RKORKXFKXYYHAQ-UHFFFAOYSA-N Synonym: 4-iodophenoxyacetic acid,2-4-iodophenoxy acetic acid,4-iodophenoxy acetic acid,p-iodophenoxyacetic acid,p-iodophenoxy acetic acid,acetic acid, 4-iodophenoxy,4-iodophenoxyacetic,4-iodophenoxyaceticacide,acmc-209eqm,4-iodo phenoxyacetic acid PubChem CID: 74658 IUPAC Name: 2-(4-iodophenoxy)acetic acid SMILES: C1=CC(=CC=C1OCC(=O)O)I
| PubChem CID | 74658 |
|---|---|
| CAS | 1878-94-0 |
| Molecular Weight (g/mol) | 278.045 |
| SMILES | C1=CC(=CC=C1OCC(=O)O)I |
| Synonym | 4-iodophenoxyacetic acid,2-4-iodophenoxy acetic acid,4-iodophenoxy acetic acid,p-iodophenoxyacetic acid,p-iodophenoxy acetic acid,acetic acid, 4-iodophenoxy,4-iodophenoxyacetic,4-iodophenoxyaceticacide,acmc-209eqm,4-iodo phenoxyacetic acid |
| IUPAC Name | 2-(4-iodophenoxy)acetic acid |
| InChI Key | RKORKXFKXYYHAQ-UHFFFAOYSA-N |
| Molecular Formula | C8H7IO3 |
2,6-Dimethoxybenzoic Acid 98.0+%, TCI America™
CAS: 1466-76-8 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.18 MDL Number: MFCD00002437 InChI Key: MBIZFBDREVRUHY-UHFFFAOYSA-N Synonym: benzoic acid, 2,6-dimethoxy,2,6-dimethoxy-benzoic acid,unii-g6b3p1lo43,2,6-dimethoxybenzoicacid,pubchem19743,acmc-1bwjj,intermediates-zcf02125,benzoic acid,6-dimethoxy,dsstox_cid_26999,dsstox_rid_82043 PubChem CID: 15109 IUPAC Name: 2,6-dimethoxybenzoic acid SMILES: COC1=CC=CC(OC)=C1C(O)=O
| PubChem CID | 15109 |
|---|---|
| CAS | 1466-76-8 |
| Molecular Weight (g/mol) | 182.18 |
| MDL Number | MFCD00002437 |
| SMILES | COC1=CC=CC(OC)=C1C(O)=O |
| Synonym | benzoic acid, 2,6-dimethoxy,2,6-dimethoxy-benzoic acid,unii-g6b3p1lo43,2,6-dimethoxybenzoicacid,pubchem19743,acmc-1bwjj,intermediates-zcf02125,benzoic acid,6-dimethoxy,dsstox_cid_26999,dsstox_rid_82043 |
| IUPAC Name | 2,6-dimethoxybenzoic acid |
| InChI Key | MBIZFBDREVRUHY-UHFFFAOYSA-N |
| Molecular Formula | C9H10O4 |