Basic information
- CAS
231953-33-6- Standard SMILES
Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1- InChIKey
ASHPLDMJLPLKAD-UHFFFAOYSA-N- Molecular formula
- C10H8F3N3
- Average molar mass
- 227.19 g/mol
- Monoisotopic mass
- 227.06703175
Names & identifiers
- Preferred name
- 4-(3-(trifluoromethyl)-1H-pyrazol-1-yl)aniline
- IUPAC
- 4-[3-(trifluoromethyl)pyrazol-1-yl]aniline
- English name
- 4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]aniline
- Molecular formula
- C10H8F3N3
- Molecular weight
- 227.19
Names & synonyms
231953-33-64-[3-(trifluoromethyl)-1H-pyrazol-1-yl]aniline4-(3-(trifluoromethyl)-1h-pyrazol-1-yl)anilineRefChem:513005856-921-01-(4-Aminophenyl)-3-(trifluoromethyl)pyrazole4-[3-(trifluoromethyl)pyrazol-1-yl]anilineMFCD00115025Benzenamine, 4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]-4-[3-(trifluoromethyl)pyrazolyl]phenylamineSCHEMBL1354818ASHPLDMJLPLKAD-UHFFFAOYSA-N
Show more names
4-[3-(trifluoromethyl)-1H-pyrazole-1-yl]aniline1-(4-Aminophenyl)-3-(trifluoromethyl)pyrazole97%
GJA95333SBB000678AKOS000318236AS-92108ST057511SY198070CS-0215054EN300-217489
Database identifiers
- CAS
231953-33-6- PubChem CID
- 688686
- EC Number
- 856-921-0
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 236
Physicochemical properties
- Boiling point
- 315.8 · 315.8±42.0 °C(Predicted)
- Density
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- pka
- 3 · 3.00±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P301+P312
- HS Code
- 2921420090 · 2921420090
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 (100%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2921420090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P301+P312
Chemistry & industry
Suppliers8 total
上海相辉医药科技有限公司13761987713 · [email protected]
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
西安峥鎏生物科技有限公司15594552852 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
南通韦恩迪医药科技有限公司18071612016 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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