1-Bromo-2,3-dichloro-5-methoxybenzene

HCID 57799152

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Basic information

CAS: 174913-19-0
Standard SMILES: COc1cc(Cl)c(Cl)c(Br)c1
InChIKey: BVZMVWRQCWSDSK-UHFFFAOYSA-N
Molecular formula: C7H5BrCl2O
Average molar mass: 255.92 g/mol
Monoisotopic mass: 253.89008

Names & identifiers

Preferred name: 1-Bromo-2,3-dichloro-5-methoxybenzene
IUPAC: 1-bromo-2,3-dichloro-5-methoxybenzene
English name: 1-bromo-2,3-dichloro-5-methoxybenzene
Molecular formula: C7H5BrCl2O
Molecular weight: 255.92

Names & synonyms

1-bromo-2,3-dichloro-5-methoxybenzene174913-19-0RefChem:430171863-004-93-Bromo-4,5-dichloroanisoleMFCD204834891-bromo-2,3-dichloro-5-methoxy-benzeneSCHEMBL264987SCHEMBL29466255BVZMVWRQCWSDSK-UHFFFAOYSA-N1-bromo-2.3-dichloro-5-methoxybenzeneBS-49808

Show more names

SY243211Benzene, 1-bromo-2,3-dichloro-5-methoxy-DB-111229F533919

Database identifiers

CAS: 174913-19-0
PubChem CID: 57799152
EC Number: 863-004-9

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 134

Physicochemical properties

Boiling point: 279.4 · 279.4±35.0 °C(Predicted)
Density: 1.666 · 1.666±0.06 g/cm3(Predicted)
storage temp.: Store at room temperature
Appearance: White to off-white Solid
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

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；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, 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.