Basic information
- CAS
774-73-2- Standard SMILES
O=C(O)/C=C/c1ccc(F)cc1F- InChIKey
PQDXPFJQTKGTFP-DUXPYHPUSA-N- Molecular formula
- C9H6F2O2
- Average molar mass
- 184.14 g/mol
Names & identifiers
- Preferred name
- 2,4-Difluorocinnamic Acid
- IUPAC
- (E)-3-(2,4-difluorophenyl)prop-2-enoic acid
- English name
- 2,4-DIFLUOROCINNAMIC ACID
- Molecular formula
- C9H6F2O2
- Molecular weight
- 184.14
Names & synonyms
94977-52-32,4-Difluorocinnamic acidRefChem:443582627-327-7(E)-3-(2,4-difluorophenyl)acrylic acid774-73-2trans-2,4-Difluorocinnamic acid(E)-3-(2,4-difluorophenyl)prop-2-enoic acid3-(2,4-difluorophenyl)prop-2-enoic acid(2E)-3-(2,4-difluorophenyl)prop-2-enoic acid2-Propenoic acid, 3-(2,4-difluorophenyl)-, (2E)-MFCD00010317
Show more names
RARECHEM BK HW 01212,4-DifluorocinnamicAci2,4-DIFLUOROCINNAMADEHYDEtrans-2,4-Difluorocinnamic2,4-DifluorocinnamicAcid>trans-2,4-Difluorociamic acidRANS-2,4-DIFLUOROCINNAMIC ACID
SCHEMBL7166292,4-Difluorocinnamicacid(E)-2,4-difluorocinnamic acidSTK893728trans-2,4-Difluorocinnamic acid, 97%2,4-difluoro-cinnamic acid(2e)-3-(2,4-difluorophenyl)acrylic acidAMY6605
Database identifiers
- CAS
774-73-2、94977-52-3- PubChem CID
- 5374945
- EC Number
- 627-327-7、670-869-4
- Nikkaji
- J1.424.449B、J911.585D
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 216
Physicochemical properties
- Melting point
- 216 · 216-218 °C (lit.)
- Boiling point
- 272 · 272.0±25.0 °C(Predicted)
- Density
- 1.3056 · 1.3056 (estimate)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 4.29 · 4.29±0.13(Predicted)
- form
- powder to crystal
- color
- White to Light yellow
- InChI
- 1S/C9H6F2O2/c10-7-3-1-6(8(11)5-7)2-4-9(12)13/h1-5H,(H,12,13)/b4-2+
- InChIKey
- PQDXPFJQTKGTFP-DUXPYHPUSA-N
- SMILES
- [H]\C(=C(\[H])c1ccc(F)cc1F)C(O)=O
- CAS DataBase Reference
- 94977 · 94977-52-3(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
Safety & regulation
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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Hazard information
Hazard Classes and Categories
Skin Irrit. 2 (100%)
Skin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29163990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-37/39-26/37/39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Usestrans-2,4-Difluorocinnamic acid may be used in chemical synthesis.
Upstream & downstream products
Upstream raw materials
Suppliers90 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
上海策嵘生物科技有限公司[email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
Related reactions
2 records
Compound notes
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