3-Bromoimidazo[1,2-a]pyridine-6-carbonitrile
Basic information
- CAS
885950-21-0- Standard SMILES
N#Cc1ccc2ncc(Br)n2c1- InChIKey
UOQHWNPVNXSDDO-UHFFFAOYSA-N- Molecular formula
- C8H4BrN3
- Average molar mass
- 222.04 g/mol
- Monoisotopic mass
- 220.95886
Names & identifiers
- Preferred name
- 3-Bromoimidazo[1,2-a]pyridine-6-carbonitrile
- IUPAC
- 3-bromoimidazo[1,2-a]pyridine-6-carbonitrile
- English name
- 3-Bromoimidazo[1,2-a]pyridine-6-carbonitrile
- Molecular formula
- C8H4BrN3
- Molecular weight
- 222.04
Names & synonyms
3-bromoimidazo[1,2-a]pyridine-6-carbonitrile885950-21-0DTXSID803775053-bromoimidazo(1,2-a)pyridine-6-carbonitrileRefChem:277764DTXCID40328533849-547-4MFCD06659617SCHEMBL17102325AKOS005071482PB32437SY097437
Show more names
3-BroMo-6-cyanoiMidazo[1,2-a]pyridine, 95%IMidazo[1,2-a]pyridine-6-carbonitrile, 3-broMo-3-BROMOIMIDAZO[1,2-A]PYRIDINE-6-CARBONITRILE ISO 9001：2015 REACH
CS-0035914P103873-BROMO-6-CYANOIMIDAZO[1,2-A]PYRIDINEEN300-64796729Y-0808LactobionicacidAM20061587FT-0680758
Database identifiers
- CAS
885950-21-0- PubChem CID
- 2764571
- DTXSID
DTXSID80377505- EC Number
- 849-547-4
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 222
Physicochemical properties
- Melting point
- 212 · 212-213°
- Density
- 1.71 · 1.71±0.1 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 1.4 · 1.40±0.50(Predicted)
- Appearance
- Brown to gray Solid
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Warning
- Hazard statements
- 301 · H301-H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P301+P310a-P305+P351+P338-P405-P501a
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-43
- Safety Statements
- 36 · 36/37
- HazardClass
- IRRITANT
- HS Code
- 2933399990 · 2933399990
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)
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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2933399990
- risk_code
- 22-43
- Signal word
- Warning
- Symbol(GHS)
- GHS06
- hazard_code
- Xn
- safety_code
- 36/37
- hazard_class
- IRRITANT
- Hazard statements
- H301-H315-H319-H335
- Precautionary statements
- P261-P280a-P301+P310a-P305+P351+P338-P405-P501a
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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