Basic information
- CAS
82617-49-0- Standard SMILES
O=[N+]([O-])c1cccc(CBr)c1Br- InChIKey
IMFSHMCSISIQIN-UHFFFAOYSA-N- Molecular formula
- C7H5Br2NO2
- Average molar mass
- 294.93 g/mol
- Monoisotopic mass
- 292.8687026
Names & identifiers
- Preferred name
- 2-Bromo-1-bromomethyl-3-nitrobenzene
- IUPAC
- 2-bromo-1-(bromomethyl)-3-nitrobenzene
- English name
- 2-bromo-1-bromomethyl-3-nitrobenzene
- Molecular formula
- C7H5Br2NO2
- Molecular weight
- 294.93
Names & synonyms
82617-49-02-bromo-1-bromomethyl-3-nitrobenzeneDTXSID10454015RefChem:256884DTXCID704048342-bromo-1-(bromomethyl)-3-nitrobenzene2-Bromo-3-nitrobenzyl bromideMFCD183902632-bromo-1-(bromomethyl)-3-nitro-benzeneSCHEMBL1232315SCHEMBL7768221SCHEMBL30844575
Show more names
Benzene, 2-bromo-1-(bromomethyl)-3-nitro-
IMFSHMCSISIQIN-UHFFFAOYSA-NHDA61749AKOS027370471PS-9861DA-26918CS-0456032D95470EN300-195483
Database identifiers
- CAS
82617-49-0- PubChem CID
- 11066342
- DTXSID
DTXSID10454015- Nikkaji
- J1.090.980E
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 171
Physicochemical properties
- Melting point
- 60 · 60-64 °C
- Boiling point
- 320.6 · 320.6±27.0 °C(Predicted)
- Density
- 2.006 · 2.006±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 271 · P271-P260
- HS Code
- 2902900000 · 2902900000
Safety & regulation
Safety data
- hs_code
- 2902900000
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- Hazard statements
- H314
- Precautionary statements
- P271-P260
Chemistry & industry
Suppliers12 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
上海华思格医药科技有限公司13611612777 · [email protected]
上海复青化学科技有限公司13816107857 · [email protected]
天成化工(江苏)有限公司0512-66387919 18662433356 · [email protected]
上海缘启生物科技有限公司+86-2332782371 +86-18120098618 · [email protected]
上海圣酮生物医药有限公司15065661979 15065661979 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
佰美济华（河南）医药科技有限公司0371-88900765 18037465274 · [email protected]
Related reactions
11 records
Compound notes
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