Basic information
- CAS
882748-41-6- Standard SMILES
O=C(CCNc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(-c2ccccc2)cc1- InChIKey
JELUAJCRVUSWBW-UHFFFAOYSA-N- Molecular formula
- C21H17ClN2O3
- Average molar mass
- 380.8 g/mol
- Monoisotopic mass
- 380.0927701
Names & identifiers
- Preferred name
- 1-[1,1'-Biphenyl]-4-yl-3-(4-chloro-3-nitroanilino)-1-propanone
- IUPAC
- 3-(4-chloro-3-nitroanilino)-1-(4-phenylphenyl)propan-1-one
- English name
- 1-[1,1'-BIPHENYL]-4-YL-3-(4-CHLORO-3-NITROANILINO)-1-PROPANONE
- Molecular formula
- C21H17ClN2O3
- Molecular weight
- 380.82
Names & synonyms
882748-41-61-[1,1'-biphenyl]-4-yl-3-(4-chloro-3-nitroanilino)-1-propanone3-(4-chloro-3-nitroanilino)-1-(4-phenylphenyl)propan-1-one1-{[1,1'-biphenyl]-4-yl}-3-[(4-chloro-3-nitrophenyl)amino]propan-1-one1-([1,1'-Biphenyl]-4-yl)-3-((4-chloro-3-nitrophenyl)amino)propan-1-one1-(1,1'-BIPHENYL)-4-YL-3-(4-CHLORO-3-NITROANILINO)-1-PROPANONEAKOS005108480JS-2310SALOR-INT L171255-1EA1-Propanone, 1-[1,1'-biphenyl]-4-yl-3-[(4-chloro-3-nitrophenyl)amino]-
Database identifiers
- CAS
882748-41-6- PubChem CID
- 4600652
- EC Number
- 123-799-9
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 496
Physicochemical properties
- Boiling point
- 605 · 605.0±55.0 °C(Predicted)
- Density
- 1.311 · 1.311±0.06 g/cm3(Predicted)
- pka
- 2.12 · 2.12±0.50(Predicted)
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P391, 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%)
Chemistry & industry
Suppliers5 total
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
BIONET-INTER[email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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