4-chloro-1-methyl-1H-imidazo(4,5-c)pyridine

HCID 948792CAS 50432-68-3

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Basic information

Standard SMILES: Cn1cnc2c(Cl)nccc21
InChIKey: AFBRUNQKLYJRCA-UHFFFAOYSA-N
Molecular formula: C7H6ClN3
Average molar mass: 167.59 g/mol
Monoisotopic mass: 167.02502487

Names & identifiers

Preferred name: 4-chloro-1-methyl-1H-imidazo(4,5-c)pyridine
IUPAC: 4-chloro-1-methylimidazo[4,5-c]pyridine
English name: 4-Chloro-1-methyl-1H-imidazo[4,5-c]pyridine
Molecular formula: C7H6ClN3
Molecular weight: 167.6

Names & synonyms

4-Chloro-1-methyl-1H-imidazo[4,5-c]pyridine50432-68-34-chloro-1-methyl-1H-imidazo(4,5-c)pyridineDTXSID50359171RefChem:291312DTXCID30310225830-784-74-chloro-1-methylimidazo[4,5-c]pyridineMFCD002221011H-IMIDAZO[4,5-C]PYRIDINE, 4-CHLORO-1-METHYL-SCHEMBL6665031H-Imidazo[4,5-c]pyridine,4-chloro-1-methyl-

Show more names

4-Chloro-1-methyl-imidazo[4,5-c]pyridine

SCHEMBL30461799AFBRUNQKLYJRCA-UHFFFAOYSA-NAKOS005265154CS-W019052PB12151DS-10778SY046607ST51079126

Database identifiers

CAS: 50432-68-3
PubChem CID: 948792
DTXSID: DTXSID50359171
EC Number: 830-784-7

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 30.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 153

Physicochemical properties

Melting point: 168 · 168-170 °C(Solv: cyclohexane (110-82-7); ethyl acetate (141-78-6))
Boiling point: 331.8 · 331.8±45.0 °C(Predicted)
Density: 1.43 · 1.43±0.1 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: 3.13 · 3.13±0.30(Predicted)
Appearance: Light brown to black Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H332-H335
Precautionary statements: 261 · P261-P280-P305+P351+P338
HS Code: 2933998090 · 2933998090

Safety & regulation

GHS classification

GHS Classification · 4 items

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.