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methyl3-bromopicolinate

methyl3-bromopicolinate structure

CAS No:
53636-56-9
Formula:
C7H6BrNO2
Chemical Name:
methyl3-bromopicolinate
Synonyms:
methyl 3-bromopicolinate;Methyl 3-bromo-2-pyridinecarboxylate;Methyl 3-broMopyridine-2-carboxylate;Methyl 3-bromopicolinate, 3-Bromo-2-(methoxycarbonyl)pyridine;3-Bromopyridine-2-carboxylic acid methyl ester;2-Pyridinecarboxylic acid, 3-bromo-, methyl ester
Categories:
Organic Chemistry > Organic Fluorine Compound

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methyl3-bromopicolinate Basic Attributes

Molecular Weight：

216.03

Exact Mass：

214.95819

EC Number：

814-519-2

DSSTox ID：

DTXSID50510922

HScode：

2933399090

Characteristics

PSA：

39.19000

XLogP3：

1.63070

Density：

1.579±0.06 g/cm3

Boiling Point：

267.4±20.0 °C(Predicted)

Flash Point：

115.533ºC

Refractive Index：

1.554

Storage Conditions：

Room temperature.

PKA：

-0.91±0.10

Safety Information

Hazard category：

IRRITANT

hazard class code：

safety instructions：

26-39

Marks：

GHS Classification：

|Warning|H302 (66.67%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 3 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:216.03
XLogP3:1.7
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:214.95819
Monoisotopic Mass:214.95819
Topological Polar Surface Area:39.2
Heavy Atom Count:11
Complexity:151
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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