2-Bromo-4-methoxy-1-methylbenzene

HCID 520288CAS 36942-56-0

Substructure search Find similar structures

Basic information

Standard SMILES: COc1ccc(C)c(Br)c1
InChIKey: MGRYVEDNIGXKQE-UHFFFAOYSA-N
Molecular formula: C8H9BrO
Average molar mass: 201.06 g/mol
Monoisotopic mass: 199.98368

Names & identifiers

Preferred name: 2-Bromo-4-methoxy-1-methylbenzene
IUPAC: 2-bromo-4-methoxy-1-methylbenzene
English name: 2-BroMo-4-Methoxy-1-Methyl-benzene
Molecular formula: C8H9BrO
Molecular weight: 201.06

Names & synonyms

2-Bromo-4-methoxy-1-methylbenzeneRefChem:466577896-761-93-Bromo-4-methylanisole36942-56-02-Bromo-4-methoxytoluene2-Bromo-4-methoxy-1-methyl-benzeneMFCD12547797AKOS015951137DS-18341SY027574EN300-182506

Show more names

4-Methoxy-2-Bromo toluene3-Bromo-4-methylanisole 2-Bromo-4-methoxytoluene

Benzene, 2-bromo-4-methoxy-1-methyl-FT-0687022A856667SCHEMBL3527439SCHEMBL7672389SCHEMBL29427042DTXSID30334305ALBB-035106

Database identifiers

CAS: 36942-56-0
PubChem CID: 520288
DTXSID: DTXSID30334305
EC Number: 896-761-9

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 105

Physicochemical properties

Melting point: 144 · 144-145.5℃
Boiling point: 224.7 · 224.7±20.0℃ (760 Torr)
Density: 1.378 · 1.378±0.06 g/cm3 (20 ºC 760 Torr)
Flash point: 101.8 · 101.8±7.8℃
storage temp.: Sealed in dry,Room Temperature
Appearance: Colorless to light yellow Liquid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338

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.