Basic information
- CAS
230295-12-2- Standard SMILES
O=C(O)C=Cc1c(F)ccc(F)c1F- InChIKey
OLYDUMMUGMYVHJ-UHFFFAOYSA-N- Molecular formula
- C9H5F3O2
- Average molar mass
- 202.13 g/mol
- Monoisotopic mass
- 202.02416388
Names & identifiers
- Preferred name
- CID 2777096
- IUPAC
- 3-(2,3,6-trifluorophenyl)prop-2-enoic acid
- English name
- 2,3,6-Trifluorocinnamic acid
- Molecular formula
- C9H5F3O2
- Molecular weight
- 202.13
Names & synonyms
SCHEMBL1124595CID 2777096RARECHEM BK HW 00642,3,6-Trifluorocinnamic acid2,3,6-Trifluorocinnamicacid98%3-(2,3,6-Trifluorophenyl)acrylic acid(E)-3-(2,3,6-trifluorophenyl)acrylic acid3-(2,3,6-Trifluorophenyl)-2-propenoic acid2-Propenoic acid, 3-(2,3,6-trifluorophenyl)-(E)-3-(2,3,6-trifluorophenyl)-2-propenoic acid2,3,6-Trifluorocinnamic Acid, Predominantly trans
Database identifiers
- CAS
230295-12-2- PubChem CID
- 2777096
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 242
Physicochemical properties
- Boiling point
- 271 · 271.0±35.0 °C(Predicted)
- Density
- 1.468 · 1.468±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 4.02 · 4.02±0.18(Predicted)
- Symbol(GHS)
- 3 · GHS03,GHS07
- Signal word
- Warning
- Hazard statements
- 272 · H272-H315-H319
- Precautionary statements
- 221 · P221-P264b-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364-P370+P378r-P403-P501c
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- HazardClass
- IRRITANT
- HS Code
- 2916399090 · 2916399090
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
- hs_code
- 2916399090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS03,GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Hazard statements
- H272-H315-H319
- Precautionary statements
- P221-P264b-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364-P370+P378r-P403-P501c
Chemistry & industry
Suppliers26 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
北京蓝博特科技有限公司010-56330744 18310155299 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
郑州阿尔法化工有限公司0371-53765687 18937137882 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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