1,2-Dibromo-4-nitrobenzene
Basic information
- CAS
5411-50-7- Standard SMILES
O=[N+]([O-])c1ccc(Br)c(Br)c1- InChIKey
DLLDRYLYVHKDKK-UHFFFAOYSA-N- Molecular formula
- C6H3Br2NO2
- Average molar mass
- 280.9 g/mol
- Monoisotopic mass
- 278.85305
Names & identifiers
- Preferred name
- 1,2-Dibromo-4-nitrobenzene
- IUPAC
- 1,2-dibromo-4-nitrobenzene
- English name
- NSC10978
- Molecular formula
- C6H3Br2NO2
- Molecular weight
- 280.9
Names & synonyms
1,2-Dibromo-4-nitrobenzeneDLLDRYLYVHKDKK-UHFFFAOYSA-RefChem:411553814-225-4InChI=1/C6H3Br2NO2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H5411-50-73,4-DibromonitrobenzeneBenzene, 1,2-dibromo-4-nitro-NSC10978MFCD00055373SCHEMBL32772691,2-Dibromo-4-nitrobenzene #
Show more names
2-DIBROMO-4-NITROBENZENE1,2-dibroMo-4-nitrobenzen3,4-Dibromo-1-nitrobenzene
NSC 10978TD1367DS-6728SY035391BCP14678Dibrom-4-nitrobenzolAM85809FT-0717784
Database identifiers
- CAS
5411-50-7- PubChem CID
- 138487
- DTXSID
DTXSID90202455- EC Number
- 814-225-4
- Nikkaji
- J1.424.106J
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 159
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physicochemical properties
- Melting point
- 58.5 °C · 58.5°C
- Boiling point
- 296 °C · 296°C (rough estimate)
- Density
- 2.2414 · 2.2414 (rough estimate)
- refractive index
- 1.64 · 1.6400 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- form
- solid
- color
- White
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- 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.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2904990090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Related reactions
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Compound notes
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