Phenol, 4-bromo-2-chloro-6-nitro-
Basic information
- CAS
58349-01-2- Standard SMILES
O=[N+]([O-])c1cc(Br)cc(Cl)c1O- InChIKey
SCQYUKGOAZBRQL-UHFFFAOYSA-N- Molecular formula
- C6H3BrClNO3
- Average molar mass
- 252.45 g/mol
- Monoisotopic mass
- 250.89848
Names & identifiers
- Preferred name
- Phenol, 4-bromo-2-chloro-6-nitro-
- IUPAC
- 4-bromo-2-chloro-6-nitrophenol
- English name
- 4-BROMO-2-CHLORO-6-NITROPHENOL
- Molecular formula
- C6H3BrClNO3
- Molecular weight
- 252.45
Names & synonyms
4-BROMO-2-CHLORO-6-NITROPHENOL58349-01-2Phenol, 4-bromo-2-chloro-6-nitro-DTXSID80207075RefChem:861250DTXCID80129566816-164-9MFCD09835006SCHEMBL4293562SCHEMBL147583232-Chlor- 4-Brom-6-NitrophenolAC1898
Show more names
AKOS011654555AB530614-bromo-2-chloro-6-nitro-phenolPhenol,4-bromo-2-chloro-6-nitroCS-12592SY100548DB-072466CS-0088485
Database identifiers
- CAS
58349-01-2- PubChem CID
- 42737
- DTXSID
DTXSID80207075- EC Number
- 816-164-9
- Nikkaji
- J1.573.224E
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 186
Physicochemical properties
- Melting point
- 114 °C · 114 °C(Solv: methanol (67-56-1); water (7732-18-5))
- Boiling point
- 257 · 257.0±35.0 °C(Predicted)
- Density
- 1.974 · 1.974±0.06 g/cm3(Predicted)
- storage temp.
- RT, stored under nitrogen
- pka
- 4.59 · 4.59±0.38(Predicted)
- Appearance
- Light yellow to yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 260 · P260-P301+P312-P280
- RIDADR
- 3077 · UN3077
- HazardClass
- 9 · 9
- HS Code
- 2908990000 · 2908990000
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
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, P317, 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
- ridadr
- UN3077
- hs_code
- 2908990000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- 9
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Precautionary statements
- P260-P301+P312-P280
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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