Benzene, 2-chloro-1,4-bis-(chloromethyl)
Basic information
- CAS
10221-08-6- Standard SMILES
ClCc1ccc(CCl)c(Cl)c1- InChIKey
PEINXWCAGXQIRL-UHFFFAOYSA-N- Molecular formula
- C8H7Cl3
- Average molar mass
- 209.5 g/mol
- Monoisotopic mass
- 207.961333
Names & identifiers
- Preferred name
- Benzene, 2-chloro-1,4-bis-(chloromethyl)
- IUPAC
- 2-chloro-1,4-bis(chloromethyl)benzene
- English name
- NSC525120
- Molecular formula
- C8H7Cl3
- Molecular weight
- 209.5
Names & synonyms
10221-08-6Benzene, 2-chloro-1,4-bis-(chloromethyl)DTXSID80326174RefChem:323887DTXCID30277288PEINXWCAGXQIRL-UHFFFAOYSA-N2-chloro-1,4-bis(chloromethyl)benzeneNSC525120Plerixafor Impurity 23Benzene,2-chloro-1,4-bis(chloromethyl)-SCHEMBL11637923NSC-525120
Show more names
Valine Impurity 132Pulesafu impurity 47Benzene, 2-chloro-1,4-bis(chloromethyl)-
DS-000861
Database identifiers
- CAS
10221-08-6- PubChem CID
- 352122
- DTXSID
DTXSID80326174
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 116
Physicochemical properties
- Melting point
- 49 · 49.0-49.5 °C
- Boiling point
- 159 · 159-161 °C(Press: 20 Torr)
- Density
- 1.336 · 1.336±0.06 g/cm3(Predicted)
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Compound notes
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