Basic information
- CAS
1179072-77-5- Standard SMILES
Brc1cnn(-c2ccncc2)c1- InChIKey
OMMHWBMJGFPIOU-UHFFFAOYSA-N- Molecular formula
- C8H6BrN3
- Average molar mass
- 224.06 g/mol
Names & identifiers
- Preferred name
- 4-(4-bromo-1H-pyrazol-1-yl)pyridine
- IUPAC
- 4-(4-bromopyrazol-1-yl)pyridine
- English name
- 4-(4-bromo-1H-pyrazol-1-yl)pyridine
- Molecular formula
- C8H6BrN3
- Molecular weight
- 224.06
Names & synonyms
4-(4-bromo-1H-pyrazol-1-yl)pyridine1179072-77-5RefChem:513861973-495-24-(4-bromopyrazol-1-yl)pyridine4-(4-Bromo-1-pyrazolyl)pyridineSCHEMBL166980114-Bromo-1-(4-pyridyl)pyrazoleOMMHWBMJGFPIOU-UHFFFAOYSA-NEXB07277MFCD12824395AKOS010257905
Show more names
Triazolam Impurity 9Pyridine, 4-(4-bromo-1H-pyrazol-1-yl)-
CS-43542SY039656DB-205032CS-0058323EN300-90388E85865F541779F8880-1984
Database identifiers
- CAS
1179072-77-5- PubChem CID
- 54595489
- EC Number
- 973-495-2
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 147
Physicochemical properties
- Boiling point
- 334.5 · 334.5±22.0 °C(Predicted)
- Density
- 1.63 · 1.63±0.1 g/cm3(Predicted)
- pka
- 2.48 · 2.48±0.10(Predicted)
Safety & regulation
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%)
Chemistry & industry
Suppliers13 total
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
康姆芘法思（上海）生物科技有限公司021-65232103 17602124823 · [email protected]
泰州市众致生物科技有限公司[email protected] 15066129350 · [email protected]
湖北扬信医药科技有限公司07143299675 13092790750 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
南通鑫奇胜生物科技有限公司13635551869 13690496888 · [email protected]
康姆芘法思（上海）生物科技有限公司021-65232103 17602124823 · [email protected]
上海晶石医药科技有限公司021-000000 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
济南鑫宏泰化学有限公司13000000000 · [email protected]
镇江博润生物医药科技有限公司15862994627 · [email protected]
天津安浩生物科技有限公司02284840027 18602254930 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
1 records
Compound notes
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