4-Bromo-6-chloro-o-cresol

HCID 82031

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 7530-27-0
Standard SMILES: Cc1cc(Br)cc(Cl)c1O
InChIKey: IDDUDPYBPXKGCP-UHFFFAOYSA-N
Molecular formula: C7H6BrClO
Average molar mass: 221.48 g/mol
Monoisotopic mass: 219.92906

Names & identifiers

Preferred name: 4-Bromo-6-chloro-o-cresol
IUPAC: 4-bromo-2-chloro-6-methylphenol
English name: 4-Bromo-2-chloro-6-methylphenol
Molecular formula: C7H6BrClO
Molecular weight: 221.48

Names & synonyms

4-Bromo-2-chloro-6-methylphenol7530-27-04-Bromo-6-chloro-o-cresolo-Cresol, 4-bromo-6-chloro-Phenol, 4-bromo-2-chloro-6-methyl-4-bromo-6-chloro-2-methylphenol2-Chloro-4-bromo-6-methylphenolUNII-V1Q03LGP5KV1Q03LGP5KNSC-96968EINECS 231-394-4NSC 96968

Show more names

5-Bromo-3-chloro-2-hydroxytoluene4-Bromo-2-chloro-6-methylphenol97%4-Bromo-2-chloro-6-methylphenol 97%5-Bromo-3-chloro-2-hydroxytoluene, 4-Bromo-6-chloro-o-cresol

DTXSID002262634-BROMO-6-CHLORO-2-CRESOLRefChem:98150DTXCID00148754231-394-4IDDUDPYBPXKGCP-UHFFFAOYSA-NInChI=1/C7H6BrClO/c1-4-2-5(8)3-6(9)7(4)10/h2-3,10H,1HMFCD00002167

Database identifiers

CAS: 7530-27-0
PubChem CID: 82031
DTXSID: DTXSID00226263
UNII: V1Q03LGP5K
EC Number: 231-394-4
Nikkaji: J307.490K

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: 120

Physicochemical properties

Melting point: 45 °C · 45 °C
Boiling point: 254 · 254.0±35.0 °C(Predicted)
Density: 1.674 · 1.674±0.06 g/cm3(Predicted)
Flash point: 110 °C · 110°C
storage temp.: Inert atmosphere,Room Temperature
pka: 8.28 · 8.28±0.23(Predicted)
Appearance: Light yellow to yellow Solid
InChI: InChI=1S/C7H6BrClO/c1-4-2-5(8)3-6(9)7(4)10/h2-3,10H,1H3
InChIKey: IDDUDPYBPXKGCP-UHFFFAOYSA-N
SMILES: C1(O)=C(C)C=C(Br)C=C1Cl
FDA UNII: 1 Q03LGP5K · V1Q03LGP5K
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 271 · P271-P280
Hazard Codes: Xi
Risk Statements: 20 · 20/21/22-36/37/38
Safety Statements: 22 · 22-36/37/39-37/39-26
Hazard Note: Irritant
HS Code: 2907199090 · 2907199090

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning 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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+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.