Basic information
- CAS
2387-18-0- Standard SMILES
Cc1cc(CCl)ccc1CCl- InChIKey
AUZOUQPAAITHQE-UHFFFAOYSA-N- Molecular formula
- C9H10Cl2
- Average molar mass
- 189.08 g/mol
- Monoisotopic mass
- 188.0159557
Names & identifiers
- Preferred name
- 3,6-Bis(chloromethyl)toluene
- IUPAC
- 1,4-bis(chloromethyl)-2-methylbenzene
- English name
- 3,6-bis(chloromethyl)toluene
- Molecular formula
- C9H10Cl2
- Molecular weight
- 189.0817
Names & synonyms
1,4-bis(chloromethyl)-2-methylbenzene3,6-Bis(chloromethyl)toluene2387-18-0Benzene, 1,4-bis(chloromethyl)-2-methyl-EINECS 219-211-6YME6XL2MS22,5-bis(chloromethyl)toluene2,5-bis(chloromethyl)-tolueneSCHEMBL6914100DTXSID00178571NS00027494
Database identifiers
- CAS
2387-18-0- PubChem CID
- 75434
- DTXSID
DTXSID00178571- UNII
- YME6XL2MS2
- EC Number
- 219-211-6
- Nikkaji
- J216.026I
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 114
Physicochemical properties
- Melting point
- 58.5 · 58.5-59 °C(Solv: hexane (110-54-3))
- Boiling point
- 274.5 · 274.5±30.0 °C(Predicted)
- Density
- 1.173 · 1.173±0.06 g/cm3(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
2 records
Compound notes
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