Basic information
- CAS
239135-52-5- Standard SMILES
O=C(O)Cc1cc(F)ccc1C(F)(F)F- InChIKey
GWWZRGDMAFXULO-UHFFFAOYSA-N- Molecular formula
- C9H6F4O2
- Average molar mass
- 222.14 g/mol
- Monoisotopic mass
- 222.03039231
Names & identifiers
- Preferred name
- 5-Fluoro-2-(Trifluoromethyl)Phenylacetic Acid
- IUPAC
- 2-[5-fluoro-2-(trifluoromethyl)phenyl]acetic acid
- English name
- 5-Fluoro-2-(trifluoromethyl)phenylacetic acid
- Molecular formula
- C9H6F4O2
- Molecular weight
- 222.14
Names & synonyms
5-Fluoro-2-(Trifluoromethyl)Phenylacetic Acid239135-52-5DTXSID30372166RefChem:303135DTXCID903231992-[5-fluoro-2-(trifluoromethyl)phenyl]acetic AcidMFCD002363042-(5-fluoro-2-(trifluoromethyl)phenyl)acetic acid[5-fluoro-2-(trifluoromethyl)phenyl]acetic acid5-FLUORO-2-TRIFLUOROMETHYLPHENYLACETIC ACIDBenzeneacetic acid, 5-fluoro-2-(trifluoromethyl)-SCHEMBL154096
Show more names
2-(Carboxymethyl)-4-fluorobenzotrifluoride
CL8801SBB096267AKOS005259843CS-W014723DS-1787SY019185EN300-1929012F007940
Database identifiers
- CAS
239135-52-5- PubChem CID
- 2737594
- DTXSID
DTXSID30372166- EC Number
- 671-902-5
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 239
Physicochemical properties
- Boiling point
- 241.4 · 241.4±35.0℃ (760 Torr)
- Density
- 1.436 · 1.436±0.06 g/cm3 (20 ºC 760 Torr)
- Flash point
- 99.8 · 99.8±25.9℃
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 3.88 · 3.88±0.10(Predicted)
- Appearance
- White to off-white Solid
- CAS DataBase Reference
- 239135 · 239135-52-5
- 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
- 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.
GHS classification
GHS Classification
Warning
H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (16.7%)
Safety data
- hs_code
- 2916399090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Suppliers51 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
Aladdin Scientific[email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
常州安轩化工有限公司13912302692 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
广东方信生物科技有限公司
Related reactions
6 records
Compound notes
Loading…