Basic information
- CAS
1402665-33-1- Standard SMILES
O=C(O)c1cnnc(Br)c1- InChIKey
SBSFKGPBPLTXAJ-UHFFFAOYSA-N- Molecular formula
- C5H3BrN2O2
- Average molar mass
- 202.99 g/mol
- Monoisotopic mass
- 201.93779
Names & identifiers
- Preferred name
- 6-Bromo-4-pyridazinecarboxylic acid
- IUPAC
- 6-bromopyridazine-4-carboxylic acid
Names & synonyms
6-Bromopyridazine-4-carboxylic acid1402665-33-1DTXSID4012930986-Bromo-4-pyridazinecarboxylic acidRefChem:541039DTXCID901723660863-745-8MFCD287466214-Pyridazinecarboxylic acid, 6-bromo-6-Bromopyridazine-4-carboxylicacidH38298EN300-6271411
Show more names
Z2311135201
Database identifiers
- CAS
1402665-33-1- PubChem CID
- 83669983
- DTXSID
DTXSID401293098- EC Number
- 863-745-8
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 63.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 142
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)
Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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