Basic information
- CAS
6303-46-4- Standard SMILES
Clc1cc(Nc2ccc(Cl)c(Cl)c2)ncn1- InChIKey
DKFCSVINRQJSNI-UHFFFAOYSA-N- Molecular formula
- C10H6Cl3N3
- Average molar mass
- 274.5 g/mol
- Monoisotopic mass
- 272.96273
Names & identifiers
- Preferred name
- 6-Chloro-n-(3,4-dichlorophenyl)pyrimidin-4-amine
- IUPAC
- 6-chloro-N-(3,4-dichlorophenyl)pyrimidin-4-amine
- English name
- 6-Chloro-N-(3,4-dichlorophenyl)pyrimidin-4-amine
- Molecular formula
- C10H6Cl3N3
- Molecular weight
- 274.53
Names & synonyms
6-chloro-n-(3,4-dichlorophenyl)pyrimidin-4-amine6303-46-4MFCD14611159NSC43277DTXSID30978945NSC-43277AKOS010530839SB60480DS-19716CS-0160546C75963F054419
Show more names
(6-chloro-pyridin-3-yl)-piperidin-1-yl-methanone4-Pyrimidinamine, 6-chloro-N-(3,4-dichlorophenyl)-
Database identifiers
- CAS
6303-46-4- PubChem CID
- 238751
- DTXSID
DTXSID30978945
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 37.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Boiling point
- 400.4 · 400.4±45.0 °C(Predicted)
- Density
- 1.544 · 1.544±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 1.7 · 1.70±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers2 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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