4-chloro-1-methyl-1H-imidazo(4,5-c)pyridine
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Basic information
- CAS
50432-68-3- 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 propertiesFilling in
- XLogP
- 1.3
- Topological polar surface area
- 30.7 Ų
- 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
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
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%)
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
8 records
Compound notes
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