Basic information
- CAS
237761-79-4- Standard SMILES
O=C(O)C=Cc1cc(F)cc(F)c1F- InChIKey
FHDPERUKPYYNEO-UHFFFAOYSA-N- Molecular formula
- C9H5F3O2
- Average molar mass
- 202.13 g/mol
- Monoisotopic mass
- 202.02416388
Names & identifiers
- Preferred name
- 3-(2,3,5-trifluorophenyl)prop-2-enoic Acid
- IUPAC
- 3-(2,3,5-trifluorophenyl)prop-2-enoic acid
- English name
- 2,3,5-Trifluorocinnamic acid
- Molecular formula
- C9H5F3O2
- Molecular weight
- 202.13
Names & synonyms
3-(2,3,5-trifluorophenyl)prop-2-enoic AcidSCHEMBL586065FHDPERUKPYYNEO-UHFFFAOYSA-N3-(2,3,5-trifluoro-phenyl)-acrylic acidRARECHEM BK HW 00652,3,5-Trifluorocinnamic acid2,3,5-Trifluorocinnamicacid98%2,3,5-TRIFLUOROCINNAMIC ACID USP/EP/BP(E)-3-(2,3,5-trifluorophenyl)acrylic acid3-(2,3,5-Trifluorophenyl)-2-propenoic acid(E)-3-(2,3,5-trifluorophenyl)prop-2-enoicaci2-Propenoic acid, 3-(2,3,5-trifluorophenyl)-
Show more names
(E)-3-(2,3,5-trifluorophenyl)prop-2-enoic acid
Database identifiers
- CAS
237761-79-4- PubChem CID
- 2777093
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
- 4.01 · 4.01±0.11(Predicted)
- CAS DataBase Reference
- 237761 · 237761-79-4(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
- 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)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Suppliers23 total
陕西缔都新材料有限公司81124267 17392282731 · [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]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
Qingdao Dexin Chemical Co., Ltd+86-15553333686 · [email protected]
聊城莱博特生物医药科技有限公司0635-893290 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
南京艾比克斯生化科技有限公司025-87193546 18652950785 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
烟台博运生物科技有限公司13793517650 13793517650 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
河南威梯希化工科技有限公司0371-63284658 18135795563 · [email protected]
Related reactions
1 records
Compound notes
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