Basic information
- CAS
117-27-1- Standard SMILES
CC(C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)[N+](=O)[O-]- InChIKey
JCWVUDIGEJLVPS-UHFFFAOYSA-N- Molecular formula
- C15H13Cl2NO2
- Average molar mass
- 310.2 g/mol
- Monoisotopic mass
- 309.032334
Names & identifiers
- Preferred name
- 1,1'-(2-Nitropropylidene)bis(4-chlorobenzene)
- IUPAC
- 1-chloro-4-[1-(4-chlorophenyl)-2-nitropropyl]benzene
- English name
- CS 645A
- Molecular formula
- C15H13Cl2NO2
- Molecular weight
- 310.18
Names & synonyms
117-27-11,1'-(2-Nitropropylidene)bis(4-chlorobenzene)RefChem:10515191,1-Bis(4-chlorophenyl)-2-nitropropaneProlan (insecticide)ENT 22,7841,1-Bis(p-chlorophenyl)-2-nitropropane2-Nitro-1,1-bis(p-chlorophenyl)propaneCS 645APropane, 1,1-bis(p-chlorophenyl)-2-nitro-Benzene, 1,1'-(2-nitropropylidene)bis[4-chloro-4C95248UY0
Show more names
Benzene, 1,1'-(2-nitropropylidene)bis(4-chloro-1-Chloro-4-[1-(4-chlorophenyl)-2-nitropropyl]benzeneBRN 1992528AI3-22784UNII-4C95248UY0CS-645AENT-227844-05-00-01923 (Beilstein Handbook Reference)
Database identifiers
- CAS
117-27-1- PubChem CID
- 8332
- DTXSID
DTXSID9041443- UNII
- 4C95248UY0
- Nikkaji
- J5.286H
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 296
Physicochemical properties
- Melting point
- 82 °C · 82°C
- Density
- 1.3303 · 1.3303 (rough estimate)
- refractive index
- 1.588 · 1.5880 (estimate)
- FDA UNII
- 4 C95248UY0 · 4C95248UY0
- EPA Substance Registry System
- 2 · 2-Nitro-1,1-bis(p-chlorophenyl)propane (117-27-1)
- Toxicity
- 50 orl-rat: · LD50 orl-rat: 750 mg/kg MEIEDD 10,946,83
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 orl-rat: 750 mg/kg MEIEDD 10,946,83
Chemistry & industry
Applications
UsesInsecticide; when mixed with bulan, the insec- ticide known as dilan is formed.
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…