2,3-Bis(chloromethyl)-1,4-naphthoquinone
Basic information
- CAS
31581-11-0- Standard SMILES
O=C1C(CCl)=C(CCl)C(=O)c2ccccc21- InChIKey
GYYQVIJEJDNZFI-UHFFFAOYSA-N- Molecular formula
- C12H8Cl2O2
- Average molar mass
- 255.09 g/mol
- Monoisotopic mass
- 253.9901349
Overview
structure
Names & identifiers
- Preferred name
- 2,3-Bis(chloromethyl)-1,4-naphthoquinone
- IUPAC
- 2,3-bis(chloromethyl)naphthalene-1,4-dione
- English name
- 2,3-Di(chloromethyl)-1,4-dihydronaphthalene-1,4-dione
- Molecular formula
- C12H8Cl2O2
- Molecular weight
- 255.1
Names & synonyms
31581-11-02,3-Bis(chloromethyl)-1,4-naphthoquinoneDTXSID50185472CMNQRefChem:81500DTXCID601079632,3-bis(chloromethyl)naphthalene-1,4-dione2,3-di(chloromethyl)-1,4-dihydronaphthalene-1,4-dioneBRN 32710441,4-NAPHTHOQUINONE, 2,3-BIS(CHLOROMETHYL)-CHEMBL167813SCHEMBL3271510
Show more names
1,4-Naphthalenedione, 2,3-bis(chloromethyl)-
Database identifiers
- CAS
31581-11-0- PubChem CID
- 35853
- DTXSID
DTXSID50185472- ChEMBL
CHEMBL167813- Nikkaji
- J61.691E
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 326
Physicochemical properties
- HS Code
- 2914290090 · 2914290090
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
- hs_code
- 2914290090
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…