Basic information
- CAS
1240257-11-7- Standard SMILES
NCc1ccc(OC(F)(F)F)cc1F- InChIKey
AXIVBJQCDRXELS-UHFFFAOYSA-N- Molecular formula
- C8H7F4NO
- Average molar mass
- 209.14 g/mol
- Monoisotopic mass
- 209.0463765
Names & identifiers
- Preferred name
- 2-Fluoro-4-(trifluoromethoxy)benzylamine
- IUPAC
- [2-fluoro-4-(trifluoromethoxy)phenyl]methanamine
- English name
- 2-Fluoro-4-(trifluoroMethoxy)benzylaMine, 97%
- Molecular formula
- C8H7F4NO
- Molecular weight
- 209.14
Names & synonyms
1240257-11-72-Fluoro-4-(trifluoromethoxy)benzylamine(2-Fluoro-4-(trifluoromethoxy)phenyl)methanamine[2-fluoro-4-(trifluoromethoxy)phenyl]methanamineMFCD166524981-[2-FLUORO-4-(TRIFLUOROMETHOXY)PHENYL]METHANAMINESCHEMBL16037391SCHEMBL31508223DTXSID001244370AKOS015957046JS-4924SB77710
Show more names
Benzenemethanamine, 2-fluoro-4-(trifluoromethoxy)-
SY228769CS-01694882-Fluoro-4-(trifluoromethoxy)benzenemethanamineF85804[2-Fluoro-4-(trifluoromethoxy)phenyl]methylamine2-Fluoro-4-(trifluoroMethoxy)benzylaMine, 97%EN300-1591722F343149
Database identifiers
- CAS
1240257-11-7- PubChem CID
- 66523482
- DTXSID
DTXSID001244370
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 185
Physicochemical properties
- Boiling point
- 180.2 · 180.2±35.0 °C(Predicted)
- Density
- 1.357 · 1.357±0.06 g/cm3(Predicted)
- pka
- 8.32 · 8.32±0.10(Predicted)
- form
- liquid
- color
- Clear, almost colourless
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P280
- HS Code
- 2922290090 · 2922290090
Safety & regulation
Safety data
- hs_code
- 2922290090
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- Hazard statements
- H314
- Precautionary statements
- P260-P280
Chemistry & industry
Suppliers17 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
石家庄衍晟生物科技有限公司18332018567; 18332018567 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
安庆融创生物科技有限公司15001988657 · [email protected]
宁波苯康基石医药科技有限公司15990591583
台州南峰药物研究所[email protected] 18616377689 · [email protected]
北京蓝博特科技有限公司010-56330744 18310155299 · [email protected]
西安乐纯化工有限责任公司029-15596886083 15596886083 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
上海氟帝新材料科技有限公司021-31009277 13761216778 · [email protected]
上海康恩博医药科技有限公司17510465506 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
北京偶合科技有限公司13552068683 13522913783 · [email protected]
上海进取者生物医药科技有限公司1 · [email protected]
上海锐谱医药科技有限公司15895968936 · [email protected]
都创（上海）医药科技股份有限公司021-58099077-8041 18601625411 · [email protected]
Related reactions
2 records
Compound notes
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