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2-BROMO-NICOTINONITRILE

2-BROMO-NICOTINONITRILE structure

CAS No:
20577-26-8
Formula:
C6H3BrN2
Chemical Name:
2-BROMO-NICOTINONITRILE
Synonyms:
2-BROMOPYRIDINE-3-CARBONITRILE;2-BROMO-NICOTINONITRILE;IFLAB-BB F1957-0002;2-bromonicotinonitrile(SALTDATA: FREE);2-broMo-3-cyanopyridin;3-Pyridinecarbonitrile,2-broMo-;2-Bromopyridine-3-carbonitrile, 2-Bromo-3-cyanopyridine;2-BroMo-nicotionitrile
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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2-BROMO-NICOTINONITRILE Basic Attributes

Molecular Weight：

183.01

Exact Mass：

181.947952

DSSTox ID：

DTXSID90355753

HScode：

2933399090

Characteristics

PSA：

36.7

XLogP3：

1.6

Appearance：

Solid

Density：

1.7±0.1 g/cm3

Melting Point：

105 °C

Boiling Point：

296.9°C at 760 mmHg

Flash Point：

133.4±23.2 °C

Refractive Index：

1.612

Vapor Pressure：

0.00139mmHg at 25°C

Safety Information

Hazard category：

6.1

GHS Classification：

|Warning|H302 (100%): 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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

2-BROMO-NICOTINONITRILE Use and Manufacturing

2-Chloro-3-cyanopyridine 23 (3.68 mg, 26 mmol) was boiled underreflux with AcOH (100 mL) for 12 h. The evaporation residue, in THF (80 mL)and HA mixture of /e/7-butyl ((3ri', 5ri)-l-(2-(2-(2-fluoro-6-methoxyphenyl)pyrimidine-4- carboxamido)-5-(4, 4, 5, 5-tetramethyl-l, 3, 2-dioxaborolan-2-yl)phenyl)-5- (hydroxymethyl)pyrrolidin-3-yl)carbamate (10 mg, 0.015 mmol),

Computed Properties

Molecular Weight:183.01
XLogP3:1.6
Hydrogen Bond Acceptor Count:2
Exact Mass:181.94796
Monoisotopic Mass:181.94796
Topological Polar Surface Area:36.7
Heavy Atom Count:9
Complexity:137
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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