Basic information
- CAS
105994-77-2- Standard SMILES
Cn1ncc(Br)c1-c1ccccc1- InChIKey
UUUUUDBHEZCADX-UHFFFAOYSA-N- Molecular formula
- C10H9BrN2
- Average molar mass
- 237.1 g/mol
- Monoisotopic mass
- 235.99491039
Names & identifiers
- Preferred name
- 4-Bromo-1-methyl-5-phenyl-1H-pyrazole
- IUPAC
- 4-bromo-1-methyl-5-phenylpyrazole
- English name
- 4-Bromo-1-methyl-5-phenyl-1H-pyrazole, 97
- Molecular formula
- C10H9BrN2
- Molecular weight
- 237.1
Names & synonyms
4-BROMO-1-METHYL-5-PHENYL-1H-PYRAZOLE105994-77-24-bromo-1-methyl-5-phenylpyrazole1H-Pyrazole, 4-bromo-1-methyl-5-phenyl-MFCD040389584-BROMO-1-METHYL-5-PHENYL-1H-PYRAZOLE, 97SCHEMBL3562130DTXSID10383699UUUUUDBHEZCADX-UHFFFAOYSA-N4-bromo-1-methyl-5-phenyl-pyrazoleAKOS023452358DS-9580
Show more names
BP-10659DA-15887SY104154CS-0151228F30072F475216
Database identifiers
- CAS
105994-77-2- PubChem CID
- 2795477
- DTXSID
DTXSID10383699- Nikkaji
- J3.766.601G
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 168
Physicochemical properties
- Melting point
- 65 · 65-66 °C
- Boiling point
- 155 · 155-156 °C(Press: 12 Torr)
- Density
- 1.4199 g/cm3 · 1.4199 g/cm3(Temp: 56.6 °C)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 0.04 · 0.04±0.10(Predicted)
- Appearance
- White to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers29 total
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
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Related reactions
1 records
Compound notes
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