Basic information
- CAS
36845-14-4- Standard SMILES
Nc1ccc(C(=O)Nc2ccc(Cl)cn2)cc1- InChIKey
BSJGXTNBRNVOQK-UHFFFAOYSA-N- Molecular formula
- C12H10ClN3O
- Average molar mass
- 247.68 g/mol
- Monoisotopic mass
- 247.0512396
Names & identifiers
- Preferred name
- Benzamide, 4-amino-N-(5-chloro-2-pyridinyl)-
- IUPAC
- 4-amino-N-(5-chloro-2-pyridinyl)benzamide
- English name
- 4-amino-N-(5-chloropyridin-2-yl)benzamide
- Molecular formula
- C12H10ClN3O
- Molecular weight
- 247.684
Names & synonyms
36845-14-4Benzamide, 4-amino-N-(5-chloro-2-pyridinyl)-BRN 04049464-Amino-N-(5-chloro-2-pyridinyl)benzamide2-(p-Aminobenzamido)-5-chloropyridineDTXSID901903235-22-08-00462 (Beilstein Handbook Reference)RefChem:321695DTXCID001128144-amino-n-(5-chloropyridin-2-yl)benzamide4-AMINO-N-(5-CHLORO-2-PYRIDINYL)-BENZAMIDE
Database identifiers
- CAS
36845-14-4- PubChem CID
- 215936
- DTXSID
DTXSID90190323- EC Number
- 109-286-2
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 68 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 266
Physicochemical properties
- EWG's Food Scores
- 1 · 1
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]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, 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
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
UKRORGSYN-BB[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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