Benzenoids
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Bis(2,6-dimethylphenyl) Chlorophosphate 93.0+%, TCI America™
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CAS: 81639-99-8 Molecular Formula: C16H18ClO3P Molecular Weight (g/mol): 324.741 MDL Number: MFCD00623313 InChI Key: WXCXJSOCIOHPLT-UHFFFAOYSA-N Synonym: Bis(2,6-dimethylphenyl)phosphoryl Chloride, Chlorophosphoric Acid Bis(2,6-dimethylphenyl) Ester PubChem CID: 9923313 IUPAC Name: 2-[chloro-(2,6-dimethylphenoxy)phosphoryl]oxy-1,3-dimethylbenzene SMILES: CC1=C(C(=CC=C1)C)OP(=O)(OC2=C(C=CC=C2C)C)Cl
| PubChem CID | 9923313 |
|---|---|
| CAS | 81639-99-8 |
| Molecular Weight (g/mol) | 324.741 |
| MDL Number | MFCD00623313 |
| SMILES | CC1=C(C(=CC=C1)C)OP(=O)(OC2=C(C=CC=C2C)C)Cl |
| Synonym | Bis(2,6-dimethylphenyl)phosphoryl Chloride, Chlorophosphoric Acid Bis(2,6-dimethylphenyl) Ester |
| IUPAC Name | 2-[chloro-(2,6-dimethylphenoxy)phosphoryl]oxy-1,3-dimethylbenzene |
| InChI Key | WXCXJSOCIOHPLT-UHFFFAOYSA-N |
| Molecular Formula | C16H18ClO3P |
3,5-Bis(trifluoromethyl)benzenesulfonyl Chloride 98.0+%, TCI America™
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CAS: 39234-86-1 Molecular Formula: C8H3ClF6O2S Molecular Weight (g/mol): 312.61 MDL Number: MFCD00014725 InChI Key: BTRCVKADYDVSLI-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl benzenesulfonyl chloride,3,5-bis trifluoromethyl benzene-1-sulfonyl chloride,3,5-bis trifluoromethyl benzenesulphonyl chloride,3,5-di trifluoromethyl benzene-1-sulfonyl chloride,3,5-ditrifluoromethylbenzenesulfonyl chloride,benzenesulfonyl chloride, 3,5-bis trifluoromethyl,3,5-bis trifluoromethyl phenylsulfonyl chloride,3,5-bis-trifluoromethyl-benzenesulfonyl chloride,3,5-di trifluoromethyl benzene sulfonyl chloride,pubchem2724 PubChem CID: 520945 IUPAC Name: 3,5-bis(trifluoromethyl)benzenesulfonyl chloride SMILES: C1=C(C=C(C=C1C(F)(F)F)S(=O)(=O)Cl)C(F)(F)F
| PubChem CID | 520945 |
|---|---|
| CAS | 39234-86-1 |
| Molecular Weight (g/mol) | 312.61 |
| MDL Number | MFCD00014725 |
| SMILES | C1=C(C=C(C=C1C(F)(F)F)S(=O)(=O)Cl)C(F)(F)F |
| Synonym | 3,5-bis trifluoromethyl benzenesulfonyl chloride,3,5-bis trifluoromethyl benzene-1-sulfonyl chloride,3,5-bis trifluoromethyl benzenesulphonyl chloride,3,5-di trifluoromethyl benzene-1-sulfonyl chloride,3,5-ditrifluoromethylbenzenesulfonyl chloride,benzenesulfonyl chloride, 3,5-bis trifluoromethyl,3,5-bis trifluoromethyl phenylsulfonyl chloride,3,5-bis-trifluoromethyl-benzenesulfonyl chloride,3,5-di trifluoromethyl benzene sulfonyl chloride,pubchem2724 |
| IUPAC Name | 3,5-bis(trifluoromethyl)benzenesulfonyl chloride |
| InChI Key | BTRCVKADYDVSLI-UHFFFAOYSA-N |
| Molecular Formula | C8H3ClF6O2S |
3-Bromostyrene (stabilized with TBC) 97.0+%, TCI America™
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CAS: 2039-86-3 Molecular Formula: C8H7Br Molecular Weight (g/mol): 183.048 MDL Number: MFCD00000088 InChI Key: KQJQPCJDKBKSLV-UHFFFAOYSA-N Synonym: 3-bromostyrene,1-bromo-3-vinylbenzene,m-bromostyrene,benzene, 1-bromo-3-ethenyl,1-bromo-3-vinyl-benzene,unii-6xe3sf241y,3-bromo-styrene,pubchem23859,acmc-1cmdc,1-bromo-3-vinylbenzene # PubChem CID: 74870 IUPAC Name: 1-bromo-3-ethenylbenzene SMILES: C=CC1=CC(=CC=C1)Br
| PubChem CID | 74870 |
|---|---|
| CAS | 2039-86-3 |
| Molecular Weight (g/mol) | 183.048 |
| MDL Number | MFCD00000088 |
| SMILES | C=CC1=CC(=CC=C1)Br |
| Synonym | 3-bromostyrene,1-bromo-3-vinylbenzene,m-bromostyrene,benzene, 1-bromo-3-ethenyl,1-bromo-3-vinyl-benzene,unii-6xe3sf241y,3-bromo-styrene,pubchem23859,acmc-1cmdc,1-bromo-3-vinylbenzene # |
| IUPAC Name | 1-bromo-3-ethenylbenzene |
| InChI Key | KQJQPCJDKBKSLV-UHFFFAOYSA-N |
| Molecular Formula | C8H7Br |
Ethyl 4-Bromobenzoate 98.0+%, TCI America™
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CAS: 5798-75-4 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.07 MDL Number: MFCD00016329 InChI Key: XZIAFENWXIQIKR-UHFFFAOYSA-N Synonym: 4-bromobenzoic acid ethyl ester,ethyl p-bromobenzoate,benzoic acid, 4-bromo-, ethyl ester,ethyl4-bromobenzoate,ethyl-4-bromobenzoate,p-ethoxycarbonyl phenyl bromide,benzoic acid, p-bromo-, ethyl ester,4-bromo-benzoic acid ethyl ester,4-bromobenzoic acid, ethyl ester,ethyl-p-bromobenzoate PubChem CID: 22043 IUPAC Name: ethyl 4-bromobenzoate SMILES: CCOC(=O)C1=CC=C(Br)C=C1
| PubChem CID | 22043 |
|---|---|
| CAS | 5798-75-4 |
| Molecular Weight (g/mol) | 229.07 |
| MDL Number | MFCD00016329 |
| SMILES | CCOC(=O)C1=CC=C(Br)C=C1 |
| Synonym | 4-bromobenzoic acid ethyl ester,ethyl p-bromobenzoate,benzoic acid, 4-bromo-, ethyl ester,ethyl4-bromobenzoate,ethyl-4-bromobenzoate,p-ethoxycarbonyl phenyl bromide,benzoic acid, p-bromo-, ethyl ester,4-bromo-benzoic acid ethyl ester,4-bromobenzoic acid, ethyl ester,ethyl-p-bromobenzoate |
| IUPAC Name | ethyl 4-bromobenzoate |
| InChI Key | XZIAFENWXIQIKR-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO2 |
1-Bromo-3-nitrobenzene 98.0+%, TCI America™
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CAS: 585-79-5 Molecular Formula: C6H4BrNO2 Molecular Weight (g/mol): 202.01 MDL Number: MFCD00024298 InChI Key: FWIROFMBWVMWLB-UHFFFAOYSA-N Synonym: 3-bromonitrobenzene,m-bromonitrobenzene,benzene, 1-bromo-3-nitro,3-nitrobromobenzene,m-nitrobromobenzene,1-bromo-3-nitro-benzene,3-bromo-1-nitrobenzene,ccris 3114,meta-bromonitrobenzene,bromonitrobenzene-3 PubChem CID: 11457 IUPAC Name: 1-bromo-3-nitrobenzene SMILES: [O-][N+](=O)C1=CC=CC(Br)=C1
| PubChem CID | 11457 |
|---|---|
| CAS | 585-79-5 |
| Molecular Weight (g/mol) | 202.01 |
| MDL Number | MFCD00024298 |
| SMILES | [O-][N+](=O)C1=CC=CC(Br)=C1 |
| Synonym | 3-bromonitrobenzene,m-bromonitrobenzene,benzene, 1-bromo-3-nitro,3-nitrobromobenzene,m-nitrobromobenzene,1-bromo-3-nitro-benzene,3-bromo-1-nitrobenzene,ccris 3114,meta-bromonitrobenzene,bromonitrobenzene-3 |
| IUPAC Name | 1-bromo-3-nitrobenzene |
| InChI Key | FWIROFMBWVMWLB-UHFFFAOYSA-N |
| Molecular Formula | C6H4BrNO2 |
sec-Butylbenzene 99.0+%, TCI America™
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CAS: 135-98-8 Molecular Formula: C10H14 Molecular Weight (g/mol): 134.222 MDL Number: MFCD00009329 InChI Key: ZJMWRROPUADPEA-UHFFFAOYSA-N Synonym: sec-butylbenzene,2-phenylbutane,1-methylpropyl benzene,secondary butylbenzene,benzene, 1-methylpropyl,s-butylbenzene,benzene, sec-butyl,1-sec-butylbenzene,methylpropyl benzene,secbutylbenzene PubChem CID: 8680 ChEBI: CHEBI:35097 IUPAC Name: butan-2-ylbenzene SMILES: CCC(C)C1=CC=CC=C1
| PubChem CID | 8680 |
|---|---|
| CAS | 135-98-8 |
| Molecular Weight (g/mol) | 134.222 |
| ChEBI | CHEBI:35097 |
| MDL Number | MFCD00009329 |
| SMILES | CCC(C)C1=CC=CC=C1 |
| Synonym | sec-butylbenzene,2-phenylbutane,1-methylpropyl benzene,secondary butylbenzene,benzene, 1-methylpropyl,s-butylbenzene,benzene, sec-butyl,1-sec-butylbenzene,methylpropyl benzene,secbutylbenzene |
| IUPAC Name | butan-2-ylbenzene |
| InChI Key | ZJMWRROPUADPEA-UHFFFAOYSA-N |
| Molecular Formula | C10H14 |
4-Bromo-2-nitrobenzoic Acid 98.0+%, TCI America™
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CAS: 99277-71-1 Molecular Formula: C7H3BrNO4 Molecular Weight (g/mol): 245.01 MDL Number: MFCD01013599 InChI Key: ZIRHHEZLJGORGU-UHFFFAOYSA-M Synonym: 4-bromo-2-nitrobenzoic acid,4-bromo-2-nitro-benzoic acid,2-nitro-4-bromobenzoic acid,5-bromo-2-carboxynitrobenzene,benzoic acid, 4-bromo-2-nitro,4-bromo-2-nitrobenzoicacid,pubchem2055,4-bromo-2-nitrobenzoic,acmc-209sc4,bromonitrobenzoicacid 42- PubChem CID: 3774467 IUPAC Name: 4-bromo-2-nitrobenzoate SMILES: [O-]C(=O)C1=CC=C(Br)C=C1[N+]([O-])=O
| PubChem CID | 3774467 |
|---|---|
| CAS | 99277-71-1 |
| Molecular Weight (g/mol) | 245.01 |
| MDL Number | MFCD01013599 |
| SMILES | [O-]C(=O)C1=CC=C(Br)C=C1[N+]([O-])=O |
| Synonym | 4-bromo-2-nitrobenzoic acid,4-bromo-2-nitro-benzoic acid,2-nitro-4-bromobenzoic acid,5-bromo-2-carboxynitrobenzene,benzoic acid, 4-bromo-2-nitro,4-bromo-2-nitrobenzoicacid,pubchem2055,4-bromo-2-nitrobenzoic,acmc-209sc4,bromonitrobenzoicacid 42- |
| IUPAC Name | 4-bromo-2-nitrobenzoate |
| InChI Key | ZIRHHEZLJGORGU-UHFFFAOYSA-M |
| Molecular Formula | C7H3BrNO4 |
(4-Fluorophenyl)thiourea 97.0+%, TCI America™
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CAS: 459-05-2 Molecular Formula: C7H7FN2S Molecular Weight (g/mol): 170.21 MDL Number: MFCD00041180 InChI Key: BRWKXKNZRVALNZ-UHFFFAOYSA-N Synonym: 1-4-fluorophenyl thiourea,1-4-fluorophenyl-2-thiourea,4-fluorophenyl thiourea,n-4-fluorophenyl thiourea,p-fluorophenylthiourea,4-fluoro-phenyl-thiourea,thiourea, 4-fluorophenyl,amino 4-fluorophenyl amino methane-1-thione,pubchem10059,acmc-1ajjb PubChem CID: 693061 IUPAC Name: (4-fluorophenyl)thiourea SMILES: NC(=S)NC1=CC=C(F)C=C1
| PubChem CID | 693061 |
|---|---|
| CAS | 459-05-2 |
| Molecular Weight (g/mol) | 170.21 |
| MDL Number | MFCD00041180 |
| SMILES | NC(=S)NC1=CC=C(F)C=C1 |
| Synonym | 1-4-fluorophenyl thiourea,1-4-fluorophenyl-2-thiourea,4-fluorophenyl thiourea,n-4-fluorophenyl thiourea,p-fluorophenylthiourea,4-fluoro-phenyl-thiourea,thiourea, 4-fluorophenyl,amino 4-fluorophenyl amino methane-1-thione,pubchem10059,acmc-1ajjb |
| IUPAC Name | (4-fluorophenyl)thiourea |
| InChI Key | BRWKXKNZRVALNZ-UHFFFAOYSA-N |
| Molecular Formula | C7H7FN2S |
4-Chloro-3-fluorobenzaldehyde 97.0+%, TCI America™
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CAS: 5527-95-7 Molecular Formula: C7H4ClFO Molecular Weight (g/mol): 158.556 MDL Number: MFCD00143288 InChI Key: AZMDWRPTDCIFRD-UHFFFAOYSA-N Synonym: 3-fluoro-4-chlorobenzaldehyde,4-chloro-3-fluorobenz-aldehyde,4-chloro-3-fluoro-benzaldehyde,benzaldehyde, 4-chloro-3-fluoro,pubchem1412,acmc-1amt7,ksc494a8n,4-chloro-3-fluoro benzaldehyde,azmdwrptdcifrd-uhfffaoysa PubChem CID: 2724985 IUPAC Name: 4-chloro-3-fluorobenzaldehyde SMILES: C1=CC(=C(C=C1C=O)F)Cl
| PubChem CID | 2724985 |
|---|---|
| CAS | 5527-95-7 |
| Molecular Weight (g/mol) | 158.556 |
| MDL Number | MFCD00143288 |
| SMILES | C1=CC(=C(C=C1C=O)F)Cl |
| Synonym | 3-fluoro-4-chlorobenzaldehyde,4-chloro-3-fluorobenz-aldehyde,4-chloro-3-fluoro-benzaldehyde,benzaldehyde, 4-chloro-3-fluoro,pubchem1412,acmc-1amt7,ksc494a8n,4-chloro-3-fluoro benzaldehyde,azmdwrptdcifrd-uhfffaoysa |
| IUPAC Name | 4-chloro-3-fluorobenzaldehyde |
| InChI Key | AZMDWRPTDCIFRD-UHFFFAOYSA-N |
| Molecular Formula | C7H4ClFO |
3-Fluoro-4-methylbenzoic Acid 98.0+%, TCI America™
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CAS: 350-28-7 Molecular Formula: C8H7FO2 Molecular Weight (g/mol): 154.14 MDL Number: MFCD00002490 InChI Key: XUQCONCMPCVUDM-UHFFFAOYSA-N Synonym: 3-fluoro-p-toluic acid,3-fluoro-4-methylbenzoicacid,3-fluoro-4-methyl-benzoic acid,benzoic acid, 3-fluoro-4-methyl,pubchem1330,acmc-209ich,4-carboxy-2-fluorotoluene,3-fluoro4-methylbenzoic acid,ksc223k8t,rarechem al bo 0761 PubChem CID: 67687 IUPAC Name: 3-fluoro-4-methylbenzoic acid SMILES: CC1=CC=C(C=C1F)C(O)=O
| PubChem CID | 67687 |
|---|---|
| CAS | 350-28-7 |
| Molecular Weight (g/mol) | 154.14 |
| MDL Number | MFCD00002490 |
| SMILES | CC1=CC=C(C=C1F)C(O)=O |
| Synonym | 3-fluoro-p-toluic acid,3-fluoro-4-methylbenzoicacid,3-fluoro-4-methyl-benzoic acid,benzoic acid, 3-fluoro-4-methyl,pubchem1330,acmc-209ich,4-carboxy-2-fluorotoluene,3-fluoro4-methylbenzoic acid,ksc223k8t,rarechem al bo 0761 |
| IUPAC Name | 3-fluoro-4-methylbenzoic acid |
| InChI Key | XUQCONCMPCVUDM-UHFFFAOYSA-N |
| Molecular Formula | C8H7FO2 |
4-(trans-4-Propylcyclohexyl)phenol 98.0+%, TCI America™
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CAS: 81936-33-6 Molecular Formula: C15H22O Molecular Weight (g/mol): 218.34 MDL Number: MFCD00673751 InChI Key: AHAZEMSUUYFDMM-UHFFFAOYSA-N Synonym: 1-Hydroxy-4-(trans-4-propylcyclohexyl)benzene PubChem CID: 3126231 IUPAC Name: 4-(4-propylcyclohexyl)phenol SMILES: CCCC1CCC(CC1)C2=CC=C(C=C2)O
| PubChem CID | 3126231 |
|---|---|
| CAS | 81936-33-6 |
| Molecular Weight (g/mol) | 218.34 |
| MDL Number | MFCD00673751 |
| SMILES | CCCC1CCC(CC1)C2=CC=C(C=C2)O |
| Synonym | 1-Hydroxy-4-(trans-4-propylcyclohexyl)benzene |
| IUPAC Name | 4-(4-propylcyclohexyl)phenol |
| InChI Key | AHAZEMSUUYFDMM-UHFFFAOYSA-N |
| Molecular Formula | C15H22O |
2-Bromo-9,9-dihexylfluorene 97.0+%, TCI America™
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CAS: 226070-05-9 Molecular Formula: C25H33Br Molecular Weight (g/mol): 413.443 MDL Number: MFCD14584649 InChI Key: NNYSRQDAPSNOKV-UHFFFAOYSA-N PubChem CID: 18674600 IUPAC Name: 2-bromo-9,9-dihexylfluorene SMILES: CCCCCCC1(C2=CC=CC=C2C3=C1C=C(C=C3)Br)CCCCCC
| PubChem CID | 18674600 |
|---|---|
| CAS | 226070-05-9 |
| Molecular Weight (g/mol) | 413.443 |
| MDL Number | MFCD14584649 |
| SMILES | CCCCCCC1(C2=CC=CC=C2C3=C1C=C(C=C3)Br)CCCCCC |
| IUPAC Name | 2-bromo-9,9-dihexylfluorene |
| InChI Key | NNYSRQDAPSNOKV-UHFFFAOYSA-N |
| Molecular Formula | C25H33Br |
4,4,5,5-Tetramethyl-2-(3,4,5-trifluorophenyl)-1,3,2-dioxaborolane 98.0+%, TCI America™
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CAS: 827614-70-0 Molecular Formula: C12H14BF3O2 Molecular Weight (g/mol): 258.047 MDL Number: MFCD05663885 InChI Key: VFCTUUBAONBDJU-UHFFFAOYSA-N Synonym: 3,4,5-Trifluorophenylboronic Acid Pinacol Ester, 1,2,3-Trifluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene PubChem CID: 2760701 IUPAC Name: 4,4,5,5-tetramethyl-2-(3,4,5-trifluorophenyl)-1,3,2-dioxaborolane SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C(=C2)F)F)F
| PubChem CID | 2760701 |
|---|---|
| CAS | 827614-70-0 |
| Molecular Weight (g/mol) | 258.047 |
| MDL Number | MFCD05663885 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C(=C2)F)F)F |
| Synonym | 3,4,5-Trifluorophenylboronic Acid Pinacol Ester, 1,2,3-Trifluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene |
| IUPAC Name | 4,4,5,5-tetramethyl-2-(3,4,5-trifluorophenyl)-1,3,2-dioxaborolane |
| InChI Key | VFCTUUBAONBDJU-UHFFFAOYSA-N |
| Molecular Formula | C12H14BF3O2 |
o-Tolylhydrazine Hydrochloride 98.0+%, TCI America™
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CAS: 635-26-7 Molecular Formula: C7H11ClN2 Molecular Weight (g/mol): 158.629 MDL Number: MFCD00012925 InChI Key: KJGFNDCSTWGUDT-UHFFFAOYSA-N Synonym: o-tolylhydrazine hydrochloride,2-methylphenyl hydrazine hydrochloride,2-methylphenylhydrazine hydrochloride,o-tolylhydrazine hcl,1-2-methylphenyl hydrazine hydrochloride,2-tolylhydrazine hydrochloride,o-tolylhydrazinium 1+ chloride,o-methylphenylhydrazine hcl,2-methylphenylhydrazine hcl,hydrazine, 2-methylphenyl-, monohydrochloride PubChem CID: 71554 IUPAC Name: (2-methylphenyl)hydrazine;hydrochloride SMILES: CC1=CC=CC=C1NN.Cl
| PubChem CID | 71554 |
|---|---|
| CAS | 635-26-7 |
| Molecular Weight (g/mol) | 158.629 |
| MDL Number | MFCD00012925 |
| SMILES | CC1=CC=CC=C1NN.Cl |
| Synonym | o-tolylhydrazine hydrochloride,2-methylphenyl hydrazine hydrochloride,2-methylphenylhydrazine hydrochloride,o-tolylhydrazine hcl,1-2-methylphenyl hydrazine hydrochloride,2-tolylhydrazine hydrochloride,o-tolylhydrazinium 1+ chloride,o-methylphenylhydrazine hcl,2-methylphenylhydrazine hcl,hydrazine, 2-methylphenyl-, monohydrochloride |
| IUPAC Name | (2-methylphenyl)hydrazine;hydrochloride |
| InChI Key | KJGFNDCSTWGUDT-UHFFFAOYSA-N |
| Molecular Formula | C7H11ClN2 |
Terephthalaldehyde 98.0+%, TCI America™
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CAS: 623-27-8 Molecular Formula: C8H6O2 Molecular Weight (g/mol): 134.134 MDL Number: MFCD00006949 InChI Key: KUCOHFSKRZZVRO-UHFFFAOYSA-N Synonym: 1,4-benzenedicarboxaldehyde,p-phthalaldehyde,terephthaldehyde,terephthaldialdehyde,terephthaladehyde,terephthaldicarboxaldehyde,terephthalic aldehyde,1,4-phthalaldehyde,p-formylbenzaldehyde,terephtaldehyde PubChem CID: 12173 IUPAC Name: terephthalaldehyde SMILES: C1=CC(=CC=C1C=O)C=O
| PubChem CID | 12173 |
|---|---|
| CAS | 623-27-8 |
| Molecular Weight (g/mol) | 134.134 |
| MDL Number | MFCD00006949 |
| SMILES | C1=CC(=CC=C1C=O)C=O |
| Synonym | 1,4-benzenedicarboxaldehyde,p-phthalaldehyde,terephthaldehyde,terephthaldialdehyde,terephthaladehyde,terephthaldicarboxaldehyde,terephthalic aldehyde,1,4-phthalaldehyde,p-formylbenzaldehyde,terephtaldehyde |
| IUPAC Name | terephthalaldehyde |
| InChI Key | KUCOHFSKRZZVRO-UHFFFAOYSA-N |
| Molecular Formula | C8H6O2 |