CAS 287917-96-8 4-bromo-1-methyl-1H-pyrazole-3-carbaldehyde (HCID 2735595)

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Basic information

CAS: 287917-96-8
Standard SMILES: Cn1cc(Br)c(C=O)n1
InChIKey: KGIYMMPLYIITLL-UHFFFAOYSA-N
Molecular formula: C5H5BrN2O
Average molar mass: 189.01 g/mol
Monoisotopic mass: 187.95852488

Names & identifiers

Preferred name: 4-bromo-1-methyl-1H-pyrazole-3-carbaldehyde
IUPAC: 4-bromo-1-methylpyrazole-3-carbaldehyde
English name: 4-Bromo-1-methyl-1H-pyrazole-5-carbaldehyde
Molecular formula: C5H5BrN2O
Molecular weight: 189.01

Names & synonyms

4-bromo-1-methyl-1H-pyrazole-3-carbaldehyde287917-96-8DTXSID90370820RefChem:290506DTXCID10321854691-598-84-bromo-1-methylpyrazole-3-carbaldehyde1H-Pyrazole-3-carboxaldehyde, 4-bromo-1-methyl-MFCD001032354-Bromo-1-methyl-pyrazole-3-carbaldehyde4-Bromo-1-methylpyrazole-3-carboxaldehyde4-Bromo-1-methyl-1H-pyrazole-3-carboxaldehyde

Show more names

4-Bromo-3-formyl-1-methylpyrazole4-Bromo-3-formyl-1-methyl-1H-pyrazole4-BROMO-1-METHYLPYRAZOLE-5-CARBOXALDEHYDE4-Bromo-1-methyl-1H-pyrazole-5-carbaldehyde

BUTTPARK 88\08-06SCHEMBL671732AKOS B007395KGIYMMPLYIITLL-UHFFFAOYSA-NART-CHEM-BB B007395SBB020579AKOS005167221PS-3090

Database identifiers

CAS: 287917-96-8
PubChem CID: 2735595
DTXSID: DTXSID90370820
EC Number: 691-598-8

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 34.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 120

Physicochemical properties

Melting point: 70 °C · 70 °C
Boiling point: 275.2 · 275.2±20.0 °C(Predicted)
Density: 1.73 · 1.73±0.1 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: -1.98 · -1.98±0.10(Predicted)
Appearance: Off-white to light yellow Solid
Sensitive: Air Sensitive
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
HS Code: 2933199090 · 2933199090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (50%): 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)

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.