Basic information
- CAS
1517800-84-8- Standard SMILES
CC(=O)c1cccc(-n2cc(Br)cn2)c1- InChIKey
RYYSSVPZXMOWOE-UHFFFAOYSA-N- Molecular formula
- C11H9BrN2O
- Average molar mass
- 265.11 g/mol
- Monoisotopic mass
- 263.98983
Names & identifiers
- Preferred name
- 1-(3-(4-Bromo-1H-pyrazol-1-yl)phenyl)ethanone
- IUPAC
- 1-[3-(4-bromopyrazol-1-yl)phenyl]ethanone
- English name
- Ethanone, 1-[3-(4-bromo-1H-pyrazol-1-yl)phenyl]-
- Molecular formula
- C11H9BrN2O
- Molecular weight
- 265.11
Names & synonyms
1517800-84-81-(3-(4-Bromo-1H-pyrazol-1-yl)phenyl)ethanone1-(3-(4-Bromo-1H-pyrazol-1-yl)phenyl)ethan-1-one1-[3-(4-BROMO-1H-PYRAZOL-1-YL)PHENYL]ETHAN-1-ONE1-[3-(4-bromopyrazol-1-yl)phenyl]ethanoneMFCD21813539AKOS017719491F77483EN300-1293179F781925Ethanone, 1-[3-(4-bromo-1H-pyrazol-1-yl)phenyl]-1-(3-(4-Bromo-1H-pyrazol-1-yl)phenyl)ethanone - [B92829]
Database identifiers
- CAS
1517800-84-8- PubChem CID
- 79168155
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 34.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 247
Physicochemical properties
- Boiling point
- 384.1 · 384.1±22.0 °C(Predicted)
- Density
- 1.49 · 1.49±0.1 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- -1.67 · -1.67±0.12(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Suppliers6 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
天津林宸科技有限公司15122256084 15122256084 · [email protected]
河南威梯希化工科技有限公司0371-53732842 13383863444 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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