Basic information
- CAS
726154-70-7- Standard SMILES
O=C(O)C1=NN(c2nc3ccccc3[nH]2)C(=O)CC1- InChIKey
DUGCHUBWLUWFQS-UHFFFAOYSA-N- Molecular formula
- C12H10N4O3
- Average molar mass
- 258.23 g/mol
- Monoisotopic mass
- 258.07529019
Names & identifiers
- Preferred name
- 1-(1H-1,3-benzodiazol-2-yl)-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxylic acid
- IUPAC
- 1-(1H-benzimidazol-2-yl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
- English name
- 1-(1H-Benzoimidazol-2-yl)-6-oxo-1,4,5,6-tetrahydro-pyridazine-3-carboxylic acid
- Molecular formula
- C12H10N4O3
- Molecular weight
- 258.23
Names & synonyms
726154-70-71-(1H-1,3-benzodiazol-2-yl)-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxylic acidRefChem:420028874-085-5MFCD039646411-(1H-benzimidazol-2-yl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid1-(1h-Benzo[d]imidazol-2-yl)-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxylic acid1-(1H-Benzoimidazol-2-yl)-6-oxo-1,4,5,6-tetrahydro-pyridazine-3-carboxylic acidorb3022581TPL0491BEB15470SBB085152
Show more names
STK600433AKOS005202279CS-0270618EN300-04483G32877SR-01000039497SR-01000039497-1Z56886488
Database identifiers
- CAS
726154-70-7- PubChem CID
- 3695956
- EC Number
- 874-085-5
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 98.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 437
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H302-H315-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
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
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Hazard statements
- H335-H302-H315-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers1 total
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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