Basic information
- CAS
900512-27-8- Standard SMILES
Oc1cccc(F)c1C(F)(F)F- InChIKey
LVLSEZMHBIUIHF-UHFFFAOYSA-N- Molecular formula
- C7H4F4O
- Average molar mass
- 180.1 g/mol
- Monoisotopic mass
- 180.01982763
Names & identifiers
- Preferred name
- 3-Fluoro-2-(trifluoromethyl)phenol
- IUPAC
- 3-fluoro-2-(trifluoromethyl)phenol
- English name
- 3-fluoro-2-trifluoromethylphenol
- Molecular formula
- C7H4F4O
- Molecular weight
- 180.1
Names & synonyms
3-fluoro-2-(trifluoromethyl)phenol900512-27-83-fluoro-2-trifluoromethylphenolSCHEMBL2051653SCHEMBL4120536SCHEMBL30368333DTXSID106481343-fluoro-2-(trifluoromethyl)-phenolAKOS015969152CS-0343234C90758F737955
Show more names
Phenol, 3-fluoro-2-(trifluoromethyl)-
Database identifiers
- CAS
900512-27-8- PubChem CID
- 24971982
- DTXSID
DTXSID10648134
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 156
Physicochemical properties
- Boiling point
- 177 · 177.0±35.0 °C(Predicted)
- Density
- 1.434 · 1.434±0.06 g/cm3(Predicted)
- pka
- 6.98 · 6.98±0.35(Predicted)
- form
- liquid
- color
- Clear, gold
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302+H312+H332-H314
- Precautionary statements
- 301 · P301+P312-P301+P330+P331-P302+P352
- HS Code
- 2908990000 · 2908990000
Safety & regulation
Safety data
- hs_code
- 2908990000
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- Hazard statements
- H302+H312+H332-H314
- Precautionary statements
- P301+P312-P301+P330+P331-P302+P352
Chemistry & industry
Suppliers10 total
安徽合诺生物科技有限公司0555-2761852
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
南京唯博特医药科技有限公司18066048793; 18014498793 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
杭州博洛科生物科技有限公司13757158499; 13757158499 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
常州安赛普化工有限公司0519-86305871 13961213398 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
5 records
Compound notes
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