Basic information
- CAS
1201-99-6- Standard SMILES
O=C(O)C=Cc1ccc(Cl)cc1Cl- InChIKey
MEBWABJHRAYGFW-UHFFFAOYSA-N- Molecular formula
- C9H6Cl2O2
- Average molar mass
- 217.05 g/mol
- Monoisotopic mass
- 215.9744848
Names & identifiers
- Preferred name
- 2,4-Dichlorocinnamic acid
- IUPAC
- 3-(2,4-dichlorophenyl)prop-2-enoic acid
- English name
- trans-2,4-Dichlorocinnamic acid
- Molecular formula
- C9H6Cl2O2
- Molecular weight
- 217.05
Names & synonyms
DTXSID008708662-Propenoic acid, 3-(2,4-dichlorophenyl)-80I2S2M8GWNSC-2076RefChem:908746DTXCID90818550214-860-11201-99-62,4-Dichlorocinnamic acid3-(2,4-Dichlorophenyl)-2-propenoic acidCinnamic acid, 2,4-dichloro-3-(2,4-dichlorophenyl)prop-2-enoic acid
Show more names
RARECHEM BK HW 0011OTAVA-BB BB70204003562,4-dichloro-cinnamicacitrans-2,4-Dichlorocinnamic acid3-(2,4-dichlorophenyl)-2-propenoicaci3-(2,4-dichlorophenyl)-2-propenoicacid(E)-3-(2,4-dichlorophenyl)-2-propenoate
2,4-Dichloro-cis-cinnamic acidAKOS BBS-00006981SCHEMBL481451SCHEMBL29419102MEBWABJHRAYGFW-UHFFFAOYSA-N3-(2,4-Dichlorophenyl)propenoic acidDB-041539
Database identifiers
- CAS
1201-99-6- PubChem CID
- 14546
- DTXSID
DTXSID00870866- EC Number
- 214-860-1
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 216
Experimental & physicochemical properties
Physical DescriptionWhite powder; [MSDSonline]
Physicochemical properties
- Melting point
- 233 · 233-235 °C(lit.)
- Boiling point
- 359.4 · 359.4±27.0 °C(Predicted)
- Density
- 1.3944 · 1.3944 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 4.17 · 4.17±0.13(Predicted)
- Appearance
- White to off-white Solid
- CAS DataBase Reference
- 1201 · 1201-99-6(CAS DataBase Reference)
- FDA UNII
- 80 I2S2M8GW · 80I2S2M8GW
- EPA Substance Registry System
- 2 · 2-Propenoic acid, 3-(2,4-dichlorophenyl)- (1201-99-6)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
Safety & regulation
Hazard information
Regulatory InformationChemical: 2-Propenoic acid, 3-(2,4-dichlorophenyl)-
Hazards SummaryCaused altered sleep time in intraperitoneal, lethal-dose testing of mice; [RTECS] An irritant; [MSDSonline] See 4-Chlorocinnamic acid.
Regulatory information
Regulatory InformationChemical: 2-Propenoic acid, 3-(2,4-dichlorophenyl)-
Safety data
- wgk
- 3
- risk_code
- 37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 37/39-26
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
- Hazardous Substances Data
- 1201-99-6(Hazardous Substances Data)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers54 total
上海腾准生物科技有限公司19821570922 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
北京大田丰拓化学技术有限公司13651141086 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
Related reactions
4 records
Compound notes
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