Basic information
- CAS
146533-43-9- Standard SMILES
Cc1ccc(-c2c(Cl)ncnc2Cl)cc1- InChIKey
XCIYCYPBRIGCOY-UHFFFAOYSA-N- Molecular formula
- C11H8Cl2N2
- Average molar mass
- 239.1 g/mol
- Monoisotopic mass
- 238.00645362
Names & identifiers
- Preferred name
- 4,6-Dichloro-5-(4-methylphenyl)pyrimidine
- IUPAC
- 4,6-dichloro-5-(4-methylphenyl)pyrimidine
- English name
- 4,6-dichloro-5-p-tolylpyrimidine
- Molecular formula
- C11H8Cl2N2
- Molecular weight
- 239.1
Names & synonyms
146533-43-94,6-dichloro-5-(4-methylphenyl)pyrimidineDTXSID60621058RefChem:285801DTXCID105718124,6-dichloro-5-(p-tolyl)pyrimidinePyrimidine, 4,6-dichloro-5-(4-methylphenyl)-4,6-dichloro-5-p-tolylpyrimidineSCHEMBL4065247XCIYCYPBRIGCOY-UHFFFAOYSA-N4,6-dichloro-5-p-tolyl-pyrimidineMFCD13151900
Show more names
4,6-dichloro-5-(p-tolyl)-pyrimidineAKOS017560710DA-219155-(4-methylphenyl)-4,6-dichloropyrimidine
Database identifiers
- CAS
146533-43-9- PubChem CID
- 21979554
- DTXSID
DTXSID60621058
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 195
Physicochemical properties
- Boiling point
- 333.2 · 333.2±42.0 °C(Predicted)
- Density
- 1.318 · 1.318±0.06 g/cm3(Predicted)
- pka
- -4.45 · -4.45±0.26(Predicted)
Chemistry & industry
Suppliers3 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
杭州泓兮生物科技有限公司15267073089 15267073089 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Related reactions
26 records
Compound notes
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