Basic information
- CAS
764652-83-7- Standard SMILES
CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1- InChIKey
XHXNFQKKCNQAIZ-CIAFOILYSA-N- Molecular formula
- C19H20N4O5
- Average molar mass
- 384.4 g/mol
- Monoisotopic mass
- 384.14336975
Names & identifiers
- Preferred name
- N-(2-(2-(2-Nitrobenzylidene)hydrazino)-2-oxoethyl)-4-propoxybenzamide
- IUPAC
- N-[2-[(2E)-2-[(2-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-propoxybenzamide
- English name
- SALOR-INT L453072-1EA
- Molecular formula
- C19H20N4O5
- Molecular weight
- 384.39
Names & synonyms
N-(2-(2-(2-NITROBENZYLIDENE)HYDRAZINO)-2-OXOETHYL)-4-PROPOXYBENZAMIDERefChem:824466764652-83-7656-724-8AKOS024416695SALOR-INT L453072-1EA
Database identifiers
- CAS
764652-83-7- PubChem CID
- 9687652
- EC Number
- 656-724-8
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 555
Physicochemical properties
- Density
- 1.277 · 1.277±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.895 · 11.895±0.46(predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 302 · H302-H400
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P273-P391-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, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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,GHS09
- Hazard statements
- H302-H400
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P273-P391-P501
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…