Basic information
- CAS
27914-56-3- Standard SMILES
O=C(O)c1ccc(OCC(F)(F)F)cc1- InChIKey
FXWBYMLSQLQXAR-UHFFFAOYSA-N- Molecular formula
- C9H7F3O3
- Average molar mass
- 220.14 g/mol
- Monoisotopic mass
- 220.03472857
Names & identifiers
- Preferred name
- 4-(2,2,2-Trifluoroethoxy)benzoic acid
- IUPAC
- 4-(2,2,2-trifluoroethoxy)benzoic acid
- English name
- 4-(2,2,2-trifluoroethoxy)benzoic acid
- Molecular formula
- C9H7F3O3
- Molecular weight
- 220.15
Names & synonyms
4-(2,2,2-trifluoroethoxy)benzoic acid27914-56-3DTXSID20396093RefChem:286823DTXCID20346952857-017-9MFCD05669500Benzoic acid, 4-(2,2,2-trifluoroethoxy)-SCHEMBL1985055VITAS-BB TBB010266ART-CHEM-BB B030036SBB023998
Show more names
STK351047AKOS0001463764-(2,2,2-trifluoroethoxy)benzoicacidMS-1273SY083495ST45119110EN300-360014-(2,2,2-Trifluoroethoxy)benzoic acid 95+%
Database identifiers
- CAS
27914-56-3- PubChem CID
- 3763901
- DTXSID
DTXSID20396093- EC Number
- 857-017-9
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 219
Physicochemical properties
- Boiling point
- 272 · 272.0±40.0 °C(Predicted)
- Density
- 1.385 · 1.385±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 4.28 · 4.28±0.10(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- HS Code
- 2918999090 · 2918999090
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]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Safety data
- hs_code
- 2918999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H319-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers19 total
常州金和生物科技有限公司18796930758 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
武汉泰凯塞科技有限公司027-86697669 13986148687 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
武汉德拜技术有限公司18086626237 18086626237 · [email protected]
嘉兴市浙嘉生物科技有限公司0573-85609002 · [email protected]
上海百韧生物科技有限公司13564638271 · [email protected]
Related reactions
5 records
Compound notes
Loading…