Basic information
- CAS
10291-27-7- Standard SMILES
O=C(O)c1cc(Nc2ccccc2Cl)c(C(=O)O)cc1Nc1ccccc1Cl- InChIKey
LASWYZAZWDFPSC-UHFFFAOYSA-N- Molecular formula
- C20H14Cl2N2O4
- Average molar mass
- 417.2 g/mol
- Monoisotopic mass
- 416.03306229
Names & identifiers
- Preferred name
- 1,4-Benzenedicarboxylic acid, 2,5-bis[(2-chlorophenyl)amino]-
- IUPAC
- 2,5-bis(2-chloroanilino)terephthalic acid
- English name
- 2,5-bis(2-chloroanilino)terephthalic acid
- Molecular formula
- C20H14Cl2N2O4
- Molecular weight
- 417.24
Names & synonyms
EINECS 233-650-02,5-Bis(o-chloroanilino)terephthalic acidTerephthalic acid, 2,5-di-(o-chloroanilino)-2,5-Bis[o-chloroanilino]terephthalic acid1,4-Benzenedicarboxylic acid, 2,5-bis((2-chlorophenyl)amino)-1,4-Benzenedicarboxylic acid, 2,5-bis[(2-chlorophenyl)amino]-RefChem:4160252,5-Bis(2-chloroanilino)terephthalic acid10291-27-7SCHEMBL6558595DTXSID9065023SCHEMBL30832916
Show more names
2,5-Di(2-chloroanilino)-1,4-benzenedicarboxylic acid
2,5-di(2-chloro-anilino)terephthalic acidNS000231922,5-Bis(2-chloroanilino)benzene-1,4-dicarboxylic acid
Database identifiers
- CAS
10291-27-7- PubChem CID
- 82523
- DTXSID
DTXSID9065023- EC Number
- 233-650-0
- Nikkaji
- J180.891E
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 98.7 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 516
Physicochemical properties
- Boiling point
- 561.7 · 561.7±50.0 °C(Predicted)
- Density
- 1.542 · 1.542±0.06 g/cm3(Predicted)
- pka
- 3.01 · 3.01±0.36(Predicted)
- EPA Substance Registry System
- 2 · 2,5-Bis[o-chloroanilino]terephthalic acid (10291-27-7)
- TSCA
- TSCA listed
Safety & regulation
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,4-Benzenedicarboxylic acid, 2,5-bis[(2-chlorophenyl)amino]-: INACTIVE
Suppliers1 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Related reactions
2 records
Compound notes
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