Basic information
- CAS
99-28-5- Standard SMILES
O=[N+]([O-])c1cc(Br)c(O)c(Br)c1- InChIKey
WBHYZUAQCSHXCT-UHFFFAOYSA-N- Molecular formula
- C6H3Br2NO3
- Average molar mass
- 296.9 g/mol
- Monoisotopic mass
- 294.84797
Names & identifiers
- Preferred name
- Phenol, 2,6-dibromo-4-nitro-
- IUPAC
- 2,6-dibromo-4-nitrophenol
- English name
- 2,6-Dibromo-4-nitrophenol
- Molecular formula
- C6H3Br2NO3
- Molecular weight
- 296.9
Names & synonyms
2,6-DIBROMO-4-NITROPHENOL99-28-5Phenol, 2,6-dibromo-4-nitro-4-Nitro-2,6-dibromophenolNSC 2585EINECS 202-744-3BRN 1245050AI3-01539DTXSID70591914-06-00-01366 (Beilstein Handbook Reference)RefChem:860753DTXCID5049100
Show more names
2,6-Dibromo-4-nit2,6-DibroMo-4-nitrop2,6-Dibromo-4-mitrophenol2,6-dibromo-4-nitro-phenoBenzbromarone Impurity 16Dibromo-4-nitrophenol, 2,6-2,6-dibromo-4-nitrophenolate
202-744-3MFCD000073342,6-dibromo-4-nitro-phenolNSC-2585NSC2585WLN: WNR DQ CE EEPhenol,6-dibromo-4-nitro-SCHEMBL994720
Database identifiers
- CAS
99-28-5- PubChem CID
- 7429
- DTXSID
DTXSID7059191- UNII
- 25S42N3J9N
- EC Number
- 202-744-3
- Nikkaji
- J53.751I
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
- 172
Experimental & physicochemical properties
SpringerMaterials PropertiesDiamagnetic susceptibility
LogP3.07
Physicochemical properties
- Melting point
- 145 °C · 145 °C (dec.)(lit.)
- Boiling point
- 297.8 · 297.8±40.0 °C(Predicted)
- Density
- 2.3436 · 2.3436 (rough estimate)
- refractive index
- 1.622 · 1.6220 (estimate)
- storage temp.
- 2 · 2-8°C(protect from light)
- form
- powder to crystal
- pka
- 3.67 · 3.67±0.44(Predicted)
- color
- White to Orange to Green
- BRN
- 1245050 · 1245050
- InChI
- InChI=1S/C6H3Br2NO3/c7-4-1-3(9(11)12)2-5(8)6(4)10/h1-2,10H
- InChIKey
- WBHYZUAQCSHXCT-UHFFFAOYSA-N
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 (87.2%): 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)
Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationT - indicates a substance that is the subject of a final TSCA section 4 test rule.
Hazard Classes and CategoriesAcute Tox. 4 (87.2%)
Safety & protection
Protective Action Criteria (PAC)
0.18 [mg/m3]
2.0 [mg/m3]
12 [mg/m3]
Safety data
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- SK8025000
- hs_code
- 29089990
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,C
- safety_code
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhenol, 2,6-dibromo-4-nitro-: INACTIVE
Applications
Uses2,6-Dibromo-4-nitrophenol serves as an intermediate in organic synthesis.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Related reactions
1 records
Compound notes
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