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Home > Encyclopedia > Methyl 5-bromo-2-methylbenzoate

Methyl 5-bromo-2-methylbenzoate

Methyl 5-bromo-2-methylbenzoate structure

Methyl 5-bromo-2-methylbenzoate 

structure
  • CAS No:

    79669-50-4

  • Formula:

    C9H9BrO2

  • Chemical Name:

    Methyl 5-bromo-2-methylbenzoate

  • Synonyms:

    Benzoic acid,5-bromo-2-methyl-,methyl ester;o-Toluic acid,5-bromo-,methyl ester;Methyl 5-bromo-o-toluate;Methyl 3-bromo-6-methylbenzoate;Methyl 5-bromo-2-methylbenzoate;NSC 243705;5-Bromo-2-methylbenzoic acid methyl ester

  • Categories:

    Pharmaceutical Intermediates  >  Heterocyclic Compound

Methyl 5-bromo-2-methylbenzoate Basic Attributes

229.07

229.07

243705

DTXSID20311504

2916399090

Characteristics

26.30000

2.54410

1.433g/cm3

45-47 °C @ Solvent: Methanol

265°C(lit.)

110.4ºC

Soluble in water.

Safety Information

IRRITANT

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 4 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:229.07
XLogP3:3.4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:227.97859
Monoisotopic Mass:227.97859
Topological Polar Surface Area:26.3
Heavy Atom Count:12
Complexity:170
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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