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Basic information
- CAS
917969-24-5- Standard SMILES
Cc1ccc(-c2ccnc(Cl)c2Cl)cc1- InChIKey
LXVWCMGHNYBIJL-UHFFFAOYSA-N- Molecular formula
- C12H9Cl2N
- Average molar mass
- 238.11 g/mol
- Monoisotopic mass
- 237.0112047
Names & identifiers
- Preferred name
- 2,3-Dichloro-4-(4-methylphenyl)pyridine
- IUPAC
- 2,3-dichloro-4-(4-methylphenyl)pyridine
- English name
- Pyridine, 2,3-dichloro-4-(4-methylphenyl)-
- Molecular formula
- C12H9Cl2N
- Molecular weight
- 238.11
Names & synonyms
917969-24-52,3-dichloro-4-p-tolylpyridinePyridine, 2,3-dichloro-4-(4-methylphenyl)-2,3-Dichloro-4-(4-methylphenyl)pyridineSCHEMBL4493868DTXSID70727939LXVWCMGHNYBIJL-UHFFFAOYSA-NDB-191884
Database identifiers
- CAS
917969-24-5- PubChem CID
- 57799425
- DTXSID
DTXSID70727939
Properties
Computed structural propertiesFilling in
- XLogP
- 4.4
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 202
Physicochemical properties
- Boiling point
- 320.6 · 320.6±37.0 °C(Predicted)
- Density
- 1.265 · 1.265±0.06 g/cm3(Predicted)
- pka
- -0.23 · -0.23±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-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
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
4 records
Compound notes
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