Basic information
- CAS
207742-85-6- Standard SMILES
O=C(O)C=Cc1ccc(F)c(F)c1F- InChIKey
AYDLBRHSHLRVAH-UHFFFAOYSA-N- Molecular formula
- C9H5F3O2
- Average molar mass
- 202.13 g/mol
- Monoisotopic mass
- 202.02416388
Names & identifiers
- Preferred name
- 3-(2,3,4-Trifluorophenyl)-2-propenoic acid
- IUPAC
- 3-(2,3,4-trifluorophenyl)prop-2-enoic acid
- English name
- 2,3,4-Trifluorocinnamic acid
- Molecular formula
- C9H5F3O2
- Molecular weight
- 202.13
Names & synonyms
3-(2,3,4-Trifluorophenyl)-2-propenoic acidRefChem:273385207742-85-63-(2,3,4-trifluorophenyl)prop-2-enoic Acid2-Propenoic acid, 3-(2,3,4-trifluorophenyl)-SCHEMBL1285274SCHEMBL29462469DTXSID101265478(2E)-3-(2,3,4-Trifluorophenyl)acrylic acid3-(2,3,4-Trifluorophenyl)acrylic acid, 3-(2,3,4-Trifluorophenyl)prop-2-enoic acid2,3,4-Trifluorocinna2,3,4-Trifluorocinnamic acid
Show more names
2,3,4-Trifluorocinnamicacid98%2 3 4-TRIFLUOROCINNAMIC ACID 993-(2,3,4-Trifluorophenyl)acrylic acid2,3,4-Trifluorocinnamic acid USP/EP/BP
Database identifiers
- CAS
207742-85-6- PubChem CID
- 2777091
- DTXSID
DTXSID101265478- EC Number
- 671-771-4
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
- Melting point
- 175 · 175-178 °C(lit.)
- Boiling point
- 273.8 · 273.8±35.0 °C(Predicted)
- Density
- 1.468 · 1.468±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 4.13 · 4.13±0.15(Predicted)
- Appearance
- Light yellow to light brown Solid
- InChI
- InChI=1S/C9H5F3O2/c10-6-3-1-5(2-4-7(13)14)8(11)9(6)12/h1-4H,(H,13,14)
- InChIKey
- AYDLBRHSHLRVAH-UHFFFAOYSA-N
- SMILES
- C(O)(=O)C=CC1=CC=C(F)C(F)=C1F
- CAS DataBase Reference
- 207742 · 207742-85-6(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- hs_code
- 2916399090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- hazard_class
- IRRITANT
- Hazard statements
- H315-H335-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers53 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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