Basic information
- CAS
4485-25-0- Standard SMILES
Nc1ccc(C(c2ccc(N)cc2)C(Cl)(Cl)Cl)cc1- InChIKey
TYYIOZHLPIBQCJ-UHFFFAOYSA-N- Molecular formula
- C14H13Cl3N2
- Average molar mass
- 315.6 g/mol
- Monoisotopic mass
- 314.014432
Names & identifiers
- Preferred name
- 4,4'-(2,2,2-Trichloroethylidene)bis(benzenamine)
- IUPAC
- 4-[1-(4-aminophenyl)-2,2,2-trichloroethyl]aniline
- English name
- 1,1'-(2,2,2-Trichloroethylidene)bis(4-aminobenzene)
- Molecular formula
- C14H13Cl3N2
- Molecular weight
- 315.63
Names & synonyms
p,p'-Amino-DDT4485-25-02,2-Bis(p-aminophenyl)-1,1,1-trichloroethaneBenzenamine, 4,4'-(2,2,2-trichloroethylidene)bis-ETHANE, 2,2-BIS(p-AMINOPHENYL)-1,1,1-TRICHLORO-NSC-158024X45W8W8HZ4,4'-(2,2,2-Trichloroethylidene)bis(benzenamine)4,4'-(2,2,2-Trichloroethylidene)bis[benzenamine]RefChem:1069239DADTp,p'-NH2-DDT
Show more names
1,1'-(2,2,2-Trichloroethylidene)bis(4-aminobenzene)
p,p'-DiaminodiphenyltrichloroethaneAniline, 4,4'-(2,2,2-trichloroethylidene)di-NSC 15802BRN 29804822,2-Bis(p-aniline)-1,1,1-trichloroethaneWLN: ZR DYR DZ&XGGG3-13-00-00478 (Beilstein Handbook Reference)2,2-BIS(p-AMINOPHENYL)-1,1,1-TRICHLORO ETHANE
Database identifiers
- CAS
4485-25-0- PubChem CID
- 20570
- DTXSID
DTXSID10196322- UNII
- 4X45W8W8HZ
- Nikkaji
- J13.689A
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 255
Physicochemical properties
- Melting point
- 148 · 148-149 °C
- Boiling point
- 470.89 °C · 470.89°C (rough estimate)
- Density
- 1.3381 · 1.3381 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- pka
- 4.74 · 4.74±0.25(Predicted)
- FDA UNII
- 4 X45W8W8HZ · 4X45W8W8HZ
- Toxicity
- 1000 mg/kg · LDLo orl-rat: 1000 mg/kg JAPMA8 37,461,48
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
- LDLo orl-rat: 1000 mg/kg JAPMA8 37,461,48
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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