Basic information
- CAS
147700-58-1- Standard SMILES
O=C(O)/C=C/c1cc(F)cc(F)c1- InChIKey
MBAWRXICVNIUGY-UHFFFAOYSA-N- Molecular formula
- C9H6F2O2
- Average molar mass
- 184.14 g/mol
Names & identifiers
- Preferred name
- trans-3,5-Difluorocinnamic acid
- IUPAC
- (E)-3-(3,5-difluorophenyl)prop-2-enoic acid
- English name
- 3,5-DIFLUOROCINNAMIC ACID
- Molecular formula
- C9H6F2O2
- Molecular weight
- 184.14
Names & synonyms
trans-3,5-Difluorocinnamic acid147700-58-184315-23-1RefChem:898778624-665-7805-799-73,5-Difluorocinnamic acid(E)-3-(3,5-difluorophenyl)acrylic acid3-(3,5-Difluorophenyl)acrylic acidMFCD000103212-Propenoic acid, 3-(3,5-difluorophenyl)-, (2E)-(2E)-3-(3,5-difluorophenyl)prop-2-enoic acid
Show more names
TIMTEC-BB SBB006675RARECHEM BK HW 02553,5-Difluorocinnamic acid,98%3-(3,5-Difluorophenyl)propenoic acid2-Propenoic acid, 3-(3,5-difluorophenyl)-
(E)-3-(3,5-difluorophenyl)prop-2-enoic acid3,5-Difluorocinnamicacid(2E)-3-(3,5-difluorophenyl)acrylic acidtrans-3-(3,5-Difluorophenyl)acrylic Acid(2E)-3-(3,5-Difluorophenyl)-2-propenoic acidSCHEMBL1195656CK2544SBB006675
Database identifiers
- CAS
147700-58-1、84315-23-1- PubChem CID
- 5374941
- EC Number
- 624-665-7、805-799-7
- Nikkaji
- J1.406.450H、J267.466A
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
- 206
Physicochemical properties
- Melting point
- 204 · 204-205 °C(lit.)
- Boiling point
- 271.95 · 271.950±25.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.3056 · 1.3056 (estimate)
- storage temp.
- Store at room temperature
- pka
- 4.146 · 4.146±0.10(predicted)
- form
- Fluffy Shiny Powder or Needles
- color
- White to off-white
- BRN
- 6194926 · 6194926
- CAS DataBase Reference
- 84315 · 84315-23-1(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
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 44 reports by companies from 4 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
- wgk
- 3
- hs_code
- 29171900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-26/37/39-24/25
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers87 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]
Hebei Maison Chemical Co.,Ltd.+86-008615511852758 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
武汉欣扬瑞和化学科技有限公司18171205315; 18171205315 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Syntechem Co.,Ltd
Related reactions
3 records
Compound notes
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