Basic information
- CAS
62966-74-9- Standard SMILES
COc1ccc(Oc2ccc(C(F)(F)F)cc2N)cc1- InChIKey
PKPSWDNMWOYYEX-UHFFFAOYSA-N- Molecular formula
- C14H12F3NO2
- Average molar mass
- 283.24 g/mol
- Monoisotopic mass
- 283.08201328
Names & identifiers
- Preferred name
- 2-(4-Methoxyphenoxy)-5-(trifluoromethyl)aniline
- IUPAC
- 2-(4-methoxyphenoxy)-5-(trifluoromethyl)aniline
- English name
- 3-AMINO-4-(4-METHOXYPHENOXY)BENZOTRIFLUORIDE
- Molecular formula
- C14H12F3NO2
- Molecular weight
- 283.25
Names & synonyms
62966-74-92-(4-methoxyphenoxy)-5-(trifluoromethyl)anilineDTXSID80371028RefChem:252475DTXCID503220623-Amino-4-(4-Methoxyphenoxy)BenzotrifluorideMFCD007924323-Amino-4-(4-methoxyphenoxy)benzotrifluoride, 2-Amino-4'-methoxy-4-(trifluoromethyl)diphenyl etherMaybridge1_006203MLS000861456SCHEMBL2978238CHEMBL1327255
Show more names
3-AMINO-4-(4METHOXYPHENOXYBENZOTRIFLUOROIDE2-(4-Methoxyphenoxy)-5-(trifluoromethyl)aniline97%2-(4-Methoxyphenoxy)-5-(trifluoromethyl)aniline 97%2-(4-Methoxyphenoxy)-5-(trifluoromethyl)benzenamineBenzenamine, 2-(4-methoxyphenoxy)-5-(trifluoromethyl)-
HMS559B21AKOS B033360BUTTPARK 50\01-72PKPSWDNMWOYYEX-UHFFFAOYSA-NPOSMWQJVSXBLGW-UHFFFAOYSA-NHMS2788B19AKOS000100913PS-7210
Database identifiers
- CAS
62966-74-9- PubChem CID
- 2735929
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 303
Experimental & physicochemical properties
Solubility5.3 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 73 °C · 73 °C
- Boiling point
- 338.3 · 338.3±42.0 °C(Predicted)
- Density
- 1.288 · 1.288±0.06 g/cm3(Predicted)
- pka
- 3.36 · 3.36±0.10(Predicted)
- CAS DataBase Reference
- 62966 · 62966-74-9(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
Safety & regulation
Safety data
- hs_code
- 2922498590
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37/39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Suppliers11 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
上海信旗医药科技有限公司+86-21-54098501 · [email protected]
Related reactions
1 records
Compound notes
Loading…