Basic information
- CAS
56962-04-0- Standard SMILES
Oc1cc(Cl)cc(Br)c1- InChIKey
GMGWXLPFRHYWAS-UHFFFAOYSA-N- Molecular formula
- C6H4BrClO
- Average molar mass
- 207.45 g/mol
- Monoisotopic mass
- 205.91340453
Names & identifiers
- Preferred name
- 3-Bromo-5-chlorophenol
- IUPAC
- 3-bromo-5-chlorophenol
- English name
- 3-Bromo-5-chlorophenol
- Molecular formula
- C6H4BrClO
- Molecular weight
- 207.45
Names & synonyms
3-Bromo-5-chlorophenol56962-04-0DTXSID80627097EC 611-435-6RefChem:93197DTXCID70577850611-435-6MFCD07780676Phenol, 3-bromo-5-chloro-3-Bromo-5-chloro-phenolSCHEMBL1178688SCHEMBL17204450
Show more names
3-BroMo-chlorophenol3-BroMo-5-chlorophenol, 97+%
SCHEMBL29778357GMGWXLPFRHYWAS-UHFFFAOYSA-NCL8477AKOS015834223AB42547AC-3272CS-W005807FB66909
Database identifiers
- CAS
56962-04-0- PubChem CID
- 22630180
- DTXSID
DTXSID80627097- EC Number
- 611-435-6
- Nikkaji
- J1.923.586F
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 99.1
Physicochemical properties
- Melting point
- 66 · 66-70℃
- Boiling point
- 256 °C · 256°C (rough estimate)
- Density
- 1.6027 · 1.6027 (rough estimate)
- vapor pressure
- 0.004 · 0.004-0.084Pa at 20-50℃
- refractive index
- 1.573 · 1.5730 (estimate)
- storage temp.
- 2 · Inert atmosphere,2-8°C
- pka
- 8.04 · 8.04±0.10(Predicted)
- form
- Solid
- Appearance
- White to off-white Solid
- LogP
- 3.2 at · 3.2 at 25℃ and pH2
- Surface tension
- 54.7 mN/m · 54.7mN/m at 1g/L and 20℃
- CAS DataBase Reference
- 56962 · 56962-04-0
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H315-H319-H332-H335
- Precautionary statements
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
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Regulatory InformationStatus: Cease Manufacture Update: 13-01-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/1147
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- hs_code
- 2908190090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H312-H315-H319-H332-H335
- REACH Registrations
- Inactive
- Precautionary statements
- P261-P280-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses3-Chloro-5-bromophenol is an important pharmaceutical intermediate that can be used in the preparation of a variety of pharmaceutical products.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
Related reactions
25 records
Compound notes
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