Basic information
- CAS
6269-33-6- Standard SMILES
O=C(O)C=CC(=O)c1ccc(Cl)cc1- InChIKey
VQVQEUFKSRHRCT-UHFFFAOYSA-N- Molecular formula
- C10H7ClO3
- Average molar mass
- 210.61 g/mol
- Monoisotopic mass
- 210.0083718
Names & identifiers
- Preferred name
- 3-(4-Chlorobenzoyl)-acrylic acid
- IUPAC
- 4-(4-chlorophenyl)-4-oxobut-2-enoic acid
- English name
- 3-(4-Chlorobenzoyl)acrylic acid
- Molecular formula
- C10H7ClO3
- Molecular weight
- 210.61
Names & synonyms
2-Butenoic acid, 4-(4-chlorophenyl)-4-oxo-SCHEMBL1677880VQVQEUFKSRHRCT-UHFFFAOYSA-N3-(4-chlorobenzoyl)-acrylic acidDTXSID001033973AKOS030239790NCI60_0121934-(4-chlorophenyl)-4-oxo-but-2-enoic acidSKL918TIMTEC-BB SBB003444P-CHLOROBENZOYLACRYLIC ACID3-(P-CHLOROBENZOYL)ACRYLIC ACID
Show more names
3-(4-Chlorobenzoyl)acrylic acidTRANS-3-(4-CHLOROBENZOYL)ACRYLIC ACID3-(4-Chlorobenzoyl)acrylic acid, HPLC 99%(E)-4-(4-CHLOROPHENYL)-4-OXOBUT-2-ENOIC ACID(E)-4-(4-CHLOROPHENYL)-4-OXO-2-BUTENOIC ACID
Database identifiers
- CAS
6269-33-6- PubChem CID
- 34643
- DTXSID
DTXSID001033973
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 252
Physicochemical properties
- Melting point
- 130 · 130-134 °C(lit.)
- Boiling point
- 379.5 · 379.5±42.0 °C(Predicted)
- Density
- 1.366 · 1.366±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 3.09 · 3.09±0.10(Predicted)
- BRN
- 2719881 · 2719881
- CAS DataBase Reference
- 6269 · 6269-33-6(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- HS Code
- 2918300090 · 2918300090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- hs_code
- 2918300090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Suppliers12 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
山东天铭生物科技发展有限责任公司400-9019001 400-901-9001
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
8 records
Compound notes
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