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Home > Encyclopedia > Methyl 3-amino-4-bromobenzoate

Methyl 3-amino-4-bromobenzoate

Methyl 3-amino-4-bromobenzoate structure

Methyl 3-amino-4-bromobenzoate 

structure

Methyl 3-amino-4-bromobenzoate Basic Attributes

230.06

228.973831

DTXSID40398019

29163990

Characteristics

52.3

1.8

1.6±0.1 g/cm3

118-120°C

337ºC at 760 mmHg

157.6±22.3 °C

1.601

Room temperature.

Safety Information

IRRITANT

|Warning|H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Methyl 3-amino-4-bromobenzoate Use and Manufacturing

General procedure: A solution of the appropriate 2-aminobenzoic acid (1equiv) in MeOH was cooled to 0°C followed by a dropwise addition of thionyl chloride (2.5equiv). The mixture was refluxed for 24h. After evaporation of the solvent and neutralization by addition of a saturated aqueous NaHCO

Computed Properties

Molecular Weight:230.06
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:228.97384
Monoisotopic Mass:228.97384
Topological Polar Surface Area:52.3
Heavy Atom Count:12
Complexity:174
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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