2-(Bromomethyl)-1-methyl-3-nitrobenzene
Basic information
- CAS
77378-54-2- Standard SMILES
Cc1cccc([N+](=O)[O-])c1CBr- InChIKey
MVLKTVRKDHDFOJ-UHFFFAOYSA-N- Molecular formula
- C8H8BrNO2
- Average molar mass
- 230.06 g/mol
- Monoisotopic mass
- 228.97384
Names & identifiers
- Preferred name
- 2-(Bromomethyl)-1-methyl-3-nitrobenzene
- IUPAC
- 2-(bromomethyl)-1-methyl-3-nitrobenzene
- English name
- 2-(BroMoMethyl)-1-Methyl-3-nitrobenzene
- Molecular formula
- C8H8BrNO2
- Molecular weight
- 230.06
Names & synonyms
2-(Bromomethyl)-1-methyl-3-nitrobenzene77378-54-2RefChem:459946827-540-7MFCD120252692-Methyl-6-nitrobenzyl bromide2-(bromomethyl)-3-methyl-1-nitrobenzene2-methyl-6-nitrobenzylbromideSCHEMBL2879819CDA37854AKOS025146473AS-64127
Show more names
Benzene, 2-(bromomethyl)-1-methyl-3-nitro-2-(Bromomethyl)-1-methyl-3-nitrobenzene - [B48932]
EN300-13869961-(bromomethyl)-6-methyl-2-nitrobenzeneSCHEMBL28077995SCHEMBL30381190WLZ5179SY1149082-(bromomethyl)-1-methyl-3-nitro-benzeneDB-311197
Database identifiers
- CAS
77378-54-2- PubChem CID
- 14897011
- EC Number
- 827-540-7
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
- 169
Physicochemical properties
- Boiling point
- 300.9 · 300.9±27.0 °C(Predicted)
- Density
- 1.564 · 1.564±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P280-P305+P351+P338-P310
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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