Basic information
- CAS
67365-46-2- Standard SMILES
Cc1c(Br)cc(Br)cc1[N+](=O)[O-]- InChIKey
HTHSMVZFGLLQAH-UHFFFAOYSA-N- Molecular formula
- C7H5Br2NO2
- Average molar mass
- 294.93 g/mol
- Monoisotopic mass
- 292.8687
Names & identifiers
- Preferred name
- 1,5-Dibromo-2-methyl-3-nitrobenzene
- IUPAC
- 1,5-dibromo-2-methyl-3-nitrobenzene
- English name
- 1,5-DIBROMO-2-METHYL-3-NITROBENZENE
- Molecular formula
- C7H5Br2NO2
- Molecular weight
- 294.93
Names & synonyms
1,5-Dibromo-2-methyl-3-nitrobenzene67365-46-2SCHEMBL629542DTXSID60634385AKOS015891567Benzene, 1,5-dibromo-2-methyl-3-nitro-
Database identifiers
- CAS
67365-46-2- PubChem CID
- 23462575
- DTXSID
DTXSID60634385
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- Boiling point
- 303.7 · 303.7±37.0 °C(Predicted)
- Density
- 1.967 · 1.967±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
Chemistry & industry
Suppliers6 total
卓瑞宁（上海）科技有限公司18163338995 18163338995 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
河南伊诺凯新材料有限公司15670530983 · [email protected]
南京凯姆铂医药科技有限公司025-66162170
上海林栎生物科技有限公司13761635123 · [email protected]
河南伊诺凯新材料有限公司15565215982 15565215982 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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