Basic information
- CAS
1780-80-9- Standard SMILES
FC(F)(F)c1nc(Cl)c2cn[nH]c2n1- InChIKey
SNIVBXKAXKSWQE-UHFFFAOYSA-N- Molecular formula
- C6H2ClF3N4
- Average molar mass
- 222.55 g/mol
- Monoisotopic mass
- 221.9920083
Names & identifiers
- Preferred name
- 1780-80-9
- IUPAC
- 4-chloro-6-(trifluoromethyl)-1H-pyrazolo[5,4-d]pyrimidine
- English name
- 4-CHLORO-6-(TRIFLUOROMETHYL)-1H-PYRAZOLO[3,4-D]PYRIMIDINE
- Molecular formula
- C6H2ClF3N4
- Molecular weight
- 222.56
Names & synonyms
4-chloro-6-(trifluoromethyl)-1h-pyrazolo[3,4-d]pyrimidine1780-80-9DTXSID402880474-Chloro-6-(trifluoromethyl)-1H-pyrazolo(3,4-d)pyrimidineRefChem:236710DTXCID802391941H-Pyrazolo[3,4-d]pyrimidine, 4-chloro-6-(trifluoromethyl)-MFCD09999248SNIVBXKAXKSWQE-UHFFFAOYSA-NNSC53928NSC 53928NSC-53928
Show more names
4-chloro-6-(trifluoroMeth...4-chloro-6-trifluoromethyl-1(2)H-pyrazolo[3,4-d]pyrimidine
AKOS015850183CS-W022152DS-0390PB26546DB-065212
Database identifiers
- CAS
1780-80-9- PubChem CID
- 243766
- DTXSID
DTXSID40288047- EC Number
- 988-585-7
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 224
Physicochemical properties
- Boiling point
- 181 · 181.0±50.0 °C(Predicted)
- Density
- 1.94 · 1.94±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 8.24 · 8.24±0.20(Predicted)
- Appearance
- yellow to brown powder
- CAS DataBase Reference
- 1780 · 1780-80-9
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers33 total
苏州启航生物科技有限公司18151111370 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
环生美森医药技术（山东）有限公司0531-88762217 18301471076 · [email protected]
上海瀚麟生物科技有限公司183-0212-4410 18302124410 · [email protected]
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
浙江雅辰药物科技股份有限公司13674959855 13674959855 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
郑州药领医药科技有限公司13526569071 · [email protected]
学研惠（武汉）科技有限公司15727060112 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
上海伯韵医药科技有限公司13817873692 · [email protected]
金瓯生物医药（南京）有限公司13000000000 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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