2-Bromo-4-chloro-6-methylphenol
Basic information
- CAS
54852-68-5- Standard SMILES
Cc1cc(Cl)cc(Br)c1O- InChIKey
AAIDNHOUZKFBTC-UHFFFAOYSA-N- Molecular formula
- C7H6BrClO
- Average molar mass
- 221.48 g/mol
- Monoisotopic mass
- 219.92906
Names & identifiers
- Preferred name
- 2-Bromo-4-chloro-6-methylphenol
- IUPAC
- 2-bromo-4-chloro-6-methylphenol
- English name
- 2-Methyl-4-chloro-6-bromophenol
- Molecular formula
- C7H6BrClO
- Molecular weight
- 221.48
Names & synonyms
2-Bromo-4-chloro-6-methylphenol54852-68-5DTXSID80346650RefChem:466496DTXCID10297722848-420-0MFCD00029750Phenol, 2-bromo-4-chloro-6-methyl-2-Methyl-4-chloro-6-bromophenolSCHEMBL9051365SCHEMBL14151513AAIDNHOUZKFBTC-UHFFFAOYSA-N
Show more names
2-bromo-4-chloro-6-methyl-phenolECA852682-Bromo-4-chloro-6-methylphenol #AKOS022173125DS-7167SY115378CS-0043671EN300-245419
Database identifiers
- CAS
54852-68-5- PubChem CID
- 613789
- DTXSID
DTXSID80346650- EC Number
- 848-420-0
- Nikkaji
- J102.764F
Properties
Computed structural properties
- XLogP
- 2.4
- 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
- 120
Physicochemical properties
- Melting point
- 51 · 51-52 °C(Solv: ligroine (8032-32-4))
- Boiling point
- 247 · 247.0±35.0 °C(Predicted)
- Density
- 1.674 · 1.674±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- 8.34 · 8.34±0.23(Predicted)
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C7H6BrClO/c1-4-2-5(9)3-6(8)7(4)10/h2-3,10H,1H3
- InChIKey
- AAIDNHOUZKFBTC-UHFFFAOYSA-N
- SMILES
- C1(O)=C(C)C=C(Cl)C=C1Br
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Suppliers
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Related reactions
0 records
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Compound notes
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