2-Bromo-1-tert-butyl-4-nitrobenzene
Basic information
- CAS
6310-17-4- Standard SMILES
CC(C)(C)c1ccc([N+](=O)[O-])cc1Br- InChIKey
VIXSTSCFPDRETO-UHFFFAOYSA-N- Molecular formula
- C10H12BrNO2
- Average molar mass
- 258.11 g/mol
- Monoisotopic mass
- 257.00514072
Names & identifiers
- Preferred name
- 2-Bromo-1-tert-butyl-4-nitrobenzene
- IUPAC
- 2-bromo-1-tert-butyl-4-nitrobenzene
- English name
- 2-bromo-4-nitro-1-tert-butyl-benzene
- Molecular formula
- C10H12BrNO2
- Molecular weight
- 258.11
Names & synonyms
2-bromo-1-tert-butyl-4-nitrobenzeneDTXSID10285861RefChem:466114DTXCID60237012103-067-56310-17-42-Bromo-1-(tert-butyl)-4-nitrobenzene2-BROMO-4-NITRO-1-TERT-BUTYL-BENZENE1-(tert-butyl)-2-bromo-4-nitrobenzeneMFCD00126481NSC43034benzene, 2-bromo-1-(1,1-dimethylethyl)-4-nitro-
Show more names
2-BROMO-1-TERT-BUTYL-4-NITROBENZEN2-bromo-1-(tert-butyl)-4-nitrobenzene(WX191811)
2-bromo-4-nitrot-butylphenylSCHEMBL395055SCHEMBL30279254VIXSTSCFPDRETO-UHFFFAOYSA-N2bromo-1-tert-butyl-4-nitrobenzeneNSC-43034SBB101959STK331794
Database identifiers
- CAS
6310-17-4- PubChem CID
- 238587
- DTXSID
DTXSID10285861- EC Number
- 103-067-5
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 219
Physicochemical properties
- Melting point
- 93 · 93-94 °C
- Boiling point
- 298 · 298.0±28.0 °C(Predicted)
- Density
- 1.401 · 1.401±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, 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
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
Related reactions
62 records
Compound notes
Loading…