1-Bromo-2-chloro-4-nitrobenzene
Basic information
- CAS
29682-39-1- Standard SMILES
O=[N+]([O-])c1ccc(Br)c(Cl)c1- InChIKey
YKSXEJZFIQAUHJ-UHFFFAOYSA-N- Molecular formula
- C6H3BrClNO2
- Average molar mass
- 236.45 g/mol
- Monoisotopic mass
- 234.90356812
Names & identifiers
- Preferred name
- 1-Bromo-2-chloro-4-nitrobenzene
- IUPAC
- 1-bromo-2-chloro-4-nitrobenzene
- English name
- 1-Bromo-2-chloro-4-nitrobenzene
- Molecular formula
- C6H3BrClNO2
- Molecular weight
- 236.45
Names & synonyms
1-BROMO-2-CHLORO-4-NITROBENZENE29682-39-1EINECS 249-773-8DTXSID70183839RefChem:75063DTXCID60106330249-773-8MFCD00051514Benzene, 1-bromo-2-chloro-4-nitro-4-Bromo-3-chloronitrobenzeneSCHEMBL527809Bromo-2-chloro-4-nitrobenzene
Show more names
2-chloro-4-nitrobroMobenzene3-chloro-4-broMonitrobenzene2-Chloro-4-nitro-1-bromobenzene1-Bromo-2chloro-4-nitrobenzene-98%
Benzene, 1-?bromo-?2-?chloro-?4-?nitro-AKOS015998980DS-1900SY046527EN300-7195643FT-0607452A8200062-chloro-4-nitro-bromobenzene
Database identifiers
- CAS
29682-39-1- PubChem CID
- 34667
- DTXSID
DTXSID70183839- EC Number
- 249-773-8
- Nikkaji
- J286.930F
Properties
Computed structural properties
- XLogP
- 3.2
- 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
- 161
Physicochemical properties
- Melting point
- 59 · 59-62°C
- Boiling point
- 282.2 · 282.2±20.0 °C(Predicted)
- Density
- 1.827 · 1.827±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to crystal
- color
- White to Light yellow
- BRN
- 2253107 · 2253107
- Symbol(GHS)
- 6 · GHS06,GHS08
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H315-H319-H331-H335-H373
- Precautionary statements
- 260 · P260-P280-P304+P340-P305+P351+P338-P405-P501a
- Risk Statements
- 20 · 20/21/22-33-36/37/38
- Safety Statements
- 26 · 26-36/37/39
- RIDADR
- 2811 · 2811
- HazardClass
- 6.1 · 6.1
- PackingGroup
- III
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 (83.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (83.3%)
Safety data
- ridadr
- 2811
- hs_code
- 2909303890
- risk_code
- 20/21/22-33-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS06,GHS08
- safety_code
- 26-36/37/39
- hazard_class
- 6.1
- packing_group
- III
- Hazard statements
- H302-H312-H315-H319-H331-H335-H373
- Precautionary statements
- P260-P280-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers
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Related reactions
6 records
Compound notes
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