Basic information
- CAS
1177415-91-6- Standard SMILES
O=C(O)c1cnc2c(Br)cc(Cl)nn12- InChIKey
RCSSKGWYVXIEJF-UHFFFAOYSA-N- Molecular formula
- C7H3BrClN3O2
- Average molar mass
- 276.47 g/mol
Names & identifiers
- Preferred name
- 8-Bromo-6-chloroimidazo[1,2-b]pyridazine-3-carboxylic acid
- IUPAC
- 8-bromo-6-chloroimidazo[1,2-b]pyridazine-3-carboxylic acid
- English name
- 8-bromo-6-chloroimidazo[1,2-b]pyridazine-3-carboxylic acid
- Molecular formula
- C7H3BrClN3O2
- Molecular weight
- 276.47
Names & synonyms
8-bromo-6-chloroimidazo[1,2-b]pyridazine-3-carboxylic acid1177415-91-6SCHEMBL2359200RCSSKGWYVXIEJF-UHFFFAOYSA-NImidazo[1,2-b]pyridazine-3-carboxylic acid, 8-bromo-6-chloro-
Database identifiers
- CAS
1177415-91-6- PubChem CID
- 59313818
- EC Number
- 116-058-6
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 67.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 255
Physicochemical properties
- Density
- 2.21 · 2.21±0.1 g/cm3(Predicted)
- pka
- -2.18 · -2.18±0.41(Predicted)
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%)
Chemistry & industry
Suppliers3 total
安徽合诺生物科技有限公司18455579438
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
10 records
Compound notes
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