Basic information
- CAS
77227-78-2- Standard SMILES
Oc1ccc(C(F)(F)F)cc1F- InChIKey
WEUIJSDNBZVSNY-UHFFFAOYSA-N- Molecular formula
- C7H4F4O
- Average molar mass
- 180.1 g/mol
- Monoisotopic mass
- 180.0198274
Names & identifiers
- Preferred name
- 2-Fluoro-4-(trifluoromethyl)phenol
- IUPAC
- 2-fluoro-4-(trifluoromethyl)phenol
- English name
- 2-Fluoro-4-(trifluoromethyl)phenol
- Molecular formula
- C7H4F4O
- Molecular weight
- 180.1
Names & synonyms
2-Fluoro-4-(trifluoromethyl)phenol77227-78-2DTXSID80335029RefChem:87070DTXCID30286118820-326-4WEUIJSDNBZVSNY-UHFFFAOYSA-NPhenol,2-fluoro-4-(trifluoromethyl)-MFCD00061285Phenol, 2-fluoro-4-(trifluoromethyl)-SCHEMBL2839879SCHEMBL2839880
Show more names
2-Fluoro-4-(trifluoromethyl)phenol,80% in THF2-fluoro-4-(trifluoromethyl)phenol2-fluoro-4-(trifluoromethyl)phenol
2-fluoro-4-trifluoromethyl phenolAKOS006230112AS-50071SY163269DB-008198EN300-190504O10780F219772
Database identifiers
- CAS
77227-78-2- PubChem CID
- 522654
- DTXSID
DTXSID80335029- EC Number
- 820-326-4
- Nikkaji
- J1.298.338G
Properties
Computed structural properties
- XLogP
- 2.1
- 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
- 164.7 · 164.7±35.0 °C(Predicted)
- Density
- 1.434 · 1.434±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 7.31 · 7.31±0.18(Predicted)
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H318-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P330-P332+P313-P362-P403+P233-P405-P501
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
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
Danger
H227 (100%): Combustible liquid [Warning Flammable liquids]
P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P370+P378, P403, 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 CategoriesFlam. Liq. 4 (100%)
Safety data
- risk_code
- 36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- safety_code
- 26-36
- Hazard statements
- H302-H315-H318-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P330-P332+P313-P362-P403+P233-P405-P501
Chemistry & industry
Suppliers30 total
宁波振岳医药科技有限公司19817745290 · [email protected]
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]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
安徽合诺生物科技有限公司18455579438
陕西宇鼎卓医药科技有限公司18992018580 18165105898 · [email protected]
南京代盟化工有限公司02566880956 · [email protected]
南京唯博特医药科技有限公司18066048793 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
上海睿升化工科技有限公司+86-021-50935922
杭州迈世腾药物科技有限公司0571-82896630 18969958410 · [email protected]
西安速加医药科技有限公司029-86115547 17791676824 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
西安乐纯化工有限责任公司
Related reactions
2 records
Compound notes
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