Basic information
- CAS
1034309-54-0- Standard SMILES
Cc1cc2ccc(C#N)cn2c1Br- InChIKey
VSGZADJKBWPCTB-UHFFFAOYSA-N- Molecular formula
- C10H7BrN2
- Average molar mass
- 235.08 g/mol
Names & identifiers
- Preferred name
- 3-Bromo-2-methylindolizine-6-carbonitrile
- IUPAC
- 3-bromo-2-methylindolizine-6-carbonitrile
Names & synonyms
3-bromo-2-methylindolizine-6-carbonitrile1034309-54-0RefChem:498504965-229-93-bromo-2-methyl-indolizine-6-carbonitrileJPMTWOPHARM JPM2-00-8466SCHEMBL3587001VSGZADJKBWPCTB-UHFFFAOYSA-NEN300-6481779
Database identifiers
- CAS
1034309-54-0- PubChem CID
- 59192015
- EC Number
- 965-229-9
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 245
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, P317, 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%)
Related reactions
5 records
Compound notes
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