4-Bromo-2-(bromomethyl)-1-nitrobenzene
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Basic information
- CAS
35287-42-4- Standard SMILES
O=[N+]([O-])c1ccc(Br)cc1CBr- InChIKey
HEDWEKIFJGXTDZ-UHFFFAOYSA-N- Molecular formula
- C7H5Br2NO2
- Average molar mass
- 294.93 g/mol
- Monoisotopic mass
- 292.8687
Names & identifiers
- Preferred name
- 4-Bromo-2-(bromomethyl)-1-nitrobenzene
- IUPAC
- 4-bromo-2-(bromomethyl)-1-nitrobenzene
- English name
- 4-bromo-2-(bromomethyl)-1-nitrobenzene
- Molecular formula
- C7H5Br2NO2
- Molecular weight
- 294.93
Names & synonyms
4-BROMO-2-(BROMOMETHYL)-1-NITROBENZENE35287-42-45-Bromo-2-nitrobenzyl bromideMFCD11848689SCHEMBL2124815Benzene, 4-bromo-2-(bromomethyl)-1-nitro-DTXSID701282543AKOS022176862CS-W022088DS-80664-Bromo-2-(bromomethyl)nitrobenzeneFT-0722092
Show more names
L-Valine,5-mercapto-,methylester
SCHEMBL29561837KBA287425-Bromo-2-nitrobenzyl bromide, 97%DA-37812SY117245EN300-153EN300-153256F52905
Database identifiers
- CAS
35287-42-4- PubChem CID
- 21780864
- DTXSID
DTXSID701282543- EC Number
- 880-734-3
Properties
Computed structural propertiesFilling in
- 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
- Boiling point
- 330.2 · 330.2±27.0 °C(Predicted)
- Density
- 2.006 · 2.006±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- form
- crystalline solid
- color
- Light yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 305 · P305+P351+P338
- HS Code
- 2904990090 · 2904990090
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
- 2904990090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H319
- Precautionary statements
- P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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