Basic information
- CAS
52415-03-9- Standard SMILES
Cc1cc(Br)c(C)c([N+](=O)[O-])c1- InChIKey
VRXIJBQJYRHNJV-UHFFFAOYSA-N- Molecular formula
- C8H8BrNO2
- Average molar mass
- 230.06 g/mol
- Monoisotopic mass
- 228.97384
Names & identifiers
- Preferred name
- 1-Bromo-2,5-dimethyl-3-nitrobenzene
- IUPAC
- 1-bromo-2,5-dimethyl-3-nitrobenzene
- English name
- 1-broMo-2,5-diMethyl-3-nitrobenzene
- Molecular formula
- C8H8BrNO2
- Molecular weight
- 230.06
Names & synonyms
1-bromo-2,5-dimethyl-3-nitrobenzene52415-03-91-bromo-2,5-dimethyl-3-nitro-benzeneSCHEMBL22968279DTXSID701294738MFCD22987581Benzene, 1-bromo-2,5-dimethyl-3-nitro-
Database identifiers
- CAS
52415-03-9- PubChem CID
- 23517469
- DTXSID
DTXSID701294738
Properties
Computed structural properties
- XLogP
- 3.2
- 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
- 180
Physicochemical properties
- Melting point
- 38 °C · 38 °C(Solv: ethanol (64-17-5))
- Boiling point
- 284.7 · 284.7±35.0 °C(Predicted)
- Density
- 1.533 · 1.533±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers5 total
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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