CAS 609-22-3 2,4-Dibromo-6-methylphenol (HCID 11861)

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Basic information

CAS: 609-22-3
Standard SMILES: Cc1cc(Br)cc(Br)c1O
InChIKey: XMKVPKGYUXVWEB-UHFFFAOYSA-N
Molecular formula: C7H6Br2O
Average molar mass: 265.93 g/mol
Monoisotopic mass: 263.87854

Names & identifiers

Preferred name: 2,4-Dibromo-6-methylphenol
IUPAC: 2,4-dibromo-6-methylphenol
English name: 4,6-DIBROMO-O-CRESOL
Molecular formula: C7H6Br2O
Molecular weight: 265.93

Names & synonyms

2,4-Dibromo-6-methylphenol4,6-Dibromo-o-cresolPhenol, 2,4-dibromo-6-methyl-o-Cresol, 4,6-dibromo-NSC 6223AI3-00101DTXSID5060568TOLUENE,3,5-DIBROMO,2-HYDROXYRefChem:82296DTXCID0042901965-464-7InChI=1/C7H6Br2O/c1-4-2-5(8)3-6(9)7(4)10/h2-3,10H,1H

Show more names

AKOS BBB/3702-methyl-4,6-dibromophenol4,6-Dibromo-o-methylphenolPhenol,2,4-dibromo-6-methyl-2-methyl-4,6-dibromobenzenephenol

609-22-3MFCD001523902,4-dibromo-6-methyl-phenolNSC6223o-Cresol,6-dibromo-4,6-Dibrom-o-KresolPhenol,4-dibromo-6-methyl-SCHEMBL670489

Database identifiers

CAS: 609-22-3
PubChem CID: 11861
DTXSID: DTXSID5060568
EC Number: 965-464-7
Nikkaji: J79.721I

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 118

Physicochemical properties

Melting point: 58 °C · 58°C
Boiling point: 259 · 259.0±35.0 °C(Predicted)
Density: 1.8014 · 1.8014 (rough estimate)
refractive index: 1.503 · 1.5030 (estimate)
storage temp.: Sealed in dry,Room Temperature
pka: 8.22 · 8.22±0.23(Predicted)
Appearance: Off-white to pink Solid
EPA Substance Registry System: 2 · Phenol, 2,4-dibromo-6-methyl- (609-22-3)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Hazard Codes: Xi
TSCA: TSCA listed
HazardClass: IRRITANT

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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.