Basic information
- CAS
339016-16-9- Standard SMILES
Nc1nc(Cl)cc(Nc2ccc(Cl)cc2)n1- InChIKey
LBGUWLTUOJPHPW-UHFFFAOYSA-N- Molecular formula
- C10H8Cl2N4
- Average molar mass
- 255.1 g/mol
- Monoisotopic mass
- 254.01260162
Names & identifiers
- Preferred name
- 6-chloro-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine
- IUPAC
- 6-chloro-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine
- English name
- 6-chloro-N4-(4-chloro-phenyl)-pyrimidine-2,4-diyldiamine
- Molecular formula
- C10H8Cl2N4
- Molecular weight
- 255.1
Names & synonyms
339016-16-96-chloro-N4-(4-chlorophenyl)pyrimidine-2,4-diamine6-chloro-4-N-(4-chlorophenyl)pyrimidine-2,4-diamineMFCD006646936-chloro-N~4~-(4-chlorophenyl)-2,4-pyrimidinediamine6-Chloro-N4-(4-chlorophenyl)-2,4-pyrimidinediamineOprea1_364018LBGUWLTUOJPHPW-UHFFFAOYSA-NDTXSID401226164SBB101546AKOS0050997777L-831
Show more names
2,4-Pyrimidinediamine, 6-chloro-N4-(4-chlorophenyl)-6-chloro-N4-(4-chloro-phenyl)-pyrimidine-2,4-diyldiamine
(2-amino-6-chloropyrimidin-4-yl)(4-chlorophenyl)amine6-Chloro-N~4~-(4-chlorophenyl)pyrimidine-2,4-diamine6-chloro-N*4*-(4-chloro-phenyl)-pyrimidine-2,4-diamine
Database identifiers
- CAS
339016-16-9- PubChem CID
- 1484285
- DTXSID
DTXSID401226164- Nikkaji
- J3.415.187C
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 63.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 221
Physicochemical properties
- Melting point
- 242 · 242-243 °C
- Boiling point
- 476.3 · 476.3±55.0 °C(Predicted)
- Density
- 1.517 · 1.517±0.06 g/cm3(Predicted)
- pka
- 3.4 · 3.40±0.10(Predicted)
Chemistry & industry
Suppliers3 total
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
宝鸡缔都医药化工有限公司029-029-81148929 17792602132 · [email protected]
Related reactions
2 records
Compound notes
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