4-Bromo-2,6-dichlorophenol
Basic information
- CAS
3217-15-0- Standard SMILES
Oc1c(Cl)cc(Br)cc1Cl- InChIKey
KGURSDWHGSLAPP-UHFFFAOYSA-N- Molecular formula
- C6H3BrCl2O
- Average molar mass
- 241.89 g/mol
- Monoisotopic mass
- 239.87443
Names & identifiers
- Preferred name
- 4-Bromo-2,6-dichlorophenol
- IUPAC
- 4-bromo-2,6-dichlorophenol
- English name
- 4-Bromo-2,6-dichlorophenol
- Molecular formula
- C6H3BrCl2O
- Molecular weight
- 241.9
Names & synonyms
4-BROMO-2,6-DICHLOROPHENOL3217-15-02,6-Dichloro-4-bromophenolEINECS 221-740-2NSC 74624DTXSID50185952RefChem:98035DTXCID90108443Phenol, 4-bromo-2,6-dichloro-(8CI)Phenol, 4-bromo-2,6-dichloro-(8CI)(9CI)221-740-24-Bromo-2.6-Dichlorophenol
Show more names
3-(1-tetrazolyl)benzoic acid4-Bromo-2,6-dichlorophenol, >=97%3-(1,2,3,4-tetrazol-1-yl)benzoic acid
Phenol, 4-bromo-2,6-dichloro-4-Bromo-2,6-dichloro-phenolMFCD00019996SCHEMBL442971NSC74624NSC-74624RB3257AKOS005288309
Database identifiers
- CAS
3217-15-0- PubChem CID
- 18587
- DTXSID
DTXSID50185952- EC Number
- 221-740-2
- Nikkaji
- J262.325K
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 110
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physicochemical properties
- Melting point
- 64 · 64-65℃
- Boiling point
- 247 ℃ · 247℃
- Density
- 1.89 · 1.890
- Flash point
- 103 ℃ · 103℃
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- soluble in Methanol
- form
- Powder
- pka
- 6.46 · 6.46±0.23(Predicted)
- color
- Off-white
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P304+P340-P305+P351+P338-P405-P501a
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 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 3 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 (33.3%)
Safety data
- hs_code
- 2908190090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- 6.1
- Hazard statements
- H302-H312-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
24 records
Compound notes
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