Basic information
- CAS
64398-84-1- Standard SMILES
O=C(Nc1ncc([N+](=O)[O-])s1)c1ccccc1- InChIKey
TYUHMMUUMWZPDB-UHFFFAOYSA-N- Molecular formula
- C10H7N3O3S
- Average molar mass
- 249.25 g/mol
- Monoisotopic mass
- 249.02081227
Names & identifiers
- Preferred name
- N-(5-nitro-2-thiazolyl)benzamide
- IUPAC
- N-(5-nitro-1,3-thiazol-2-yl)benzamide
- English name
- N-(5-nitro-2-thiazolyl)benzamide
- Molecular formula
- C10H7N3O3S
- Molecular weight
- 249.25
Names & synonyms
64398-84-1N-(5-Nitro-2-thiazolyl)benzamideBenzamido-2-nitro-5-thiazole2-Benzamido-5-nitrothiazoleBENZAMIDE, N-(5-NITRO-2-THIAZOLYL)-DTXSID70214637RefChem:117158B2N5TDTXCID00137128264-868-4N-(5-Nitrothiazol-2-yl)benzamideN-(5-nitro-1,3-thiazol-2-yl)benzamide
Show more names
NSC87574MFCD00085575N-(5-Nitro-thiazol-2-yl)-benzamideN-(5-NITROTHIAZOL-2-YL)-BENZAMIDEEINECS 264-868-4NSC 87574N-(5-nitro-1,3-thiazol-2-yl)benzenecarboxamideBRN 0023059
Database identifiers
- CAS
64398-84-1- PubChem CID
- 47359
- DTXSID
DTXSID70214637- ChEMBL
CHEMBL1082352- EC Number
- 264-868-4
- Nikkaji
- J73.142K
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 302
Experimental & physicochemical properties
LogP2.97
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
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)
Aggregated GHS information provided per 38 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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H302
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers2 total
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
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
Loading…