Basic information
- CAS
6625-54-3- Standard SMILES
O=[N+]([O-])c1cccc2c(CCl)cccc12- InChIKey
PHZIJSANQGZNPP-UHFFFAOYSA-N- Molecular formula
- C11H8ClNO2
- Average molar mass
- 221.64 g/mol
- Monoisotopic mass
- 221.02435618
Names & identifiers
- Preferred name
- 1-Chloromethyl-5-nitronaphthalene
- IUPAC
- 1-(chloromethyl)-5-nitronaphthalene
- English name
- 1-(chloromethyl)-5-nitro-naphthalene
- Molecular formula
- C11H8ClNO2
- Molecular weight
- 221.64
Names & synonyms
1-Chloromethyl-5-nitronaphthalene6625-54-31-(chloromethyl)-5-nitronaphthalene1-(chloromethyl)-5-nitro-naphthaleneMFCD000463865-nitro-1-chloromethylnaphthaleneNSC16059SCHEMBL8434944DTXSID80280242PHZIJSANQGZNPP-UHFFFAOYSA-NNSC-16059AKOS005257284
Show more names
Naphthalene, 1-(chloromethyl)-5-nitro-
5-CHLOROMETHYL-1-NITRONAPHTHALENEC67475H54529
Database identifiers
- CAS
6625-54-3- PubChem CID
- 226047
- DTXSID
DTXSID80280242
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 241
Physicochemical properties
- Melting point
- 96 · 96-97 °C
- Boiling point
- 376.5 · 376.5±22.0 °C(Predicted)
- Density
- 1.359 · 1.359±0.06 g/cm3(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers2 total
上海相辉医药科技有限公司[email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
7 records
Compound notes
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