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2-Bromo-4-cyanopyridine

2-Bromo-4-cyanopyridine structure

CAS No:
10386-27-3
Formula:
C6H3BrN2
Chemical Name:
2-Bromo-4-cyanopyridine
Synonyms:
2-BROMO-4-CYANO-PYRIDINE;2-BROMO-ISONICONINONITRILE;2-BROMO-ISONICOTINONITRILE;2-bromoisonicotinonitrile(SALTDATA: FREE);2-Bromo-4-cyanopyridine, 2-Bromopyridine-4-carbonitrile;2-broMo-2-cyano-1,2-dihydropyridine-4-carboxylic acid;2-broMopyridin-4-carbonitrile;2-BroMoisonicotinonitrile (2-BroMo-4-cyanopyridine)
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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2-Bromo-4-cyanopyridine Basic Attributes

Molecular Weight：

183.01

Exact Mass：

181.947952

DSSTox ID：

DTXSID00471296

HScode：

2933399090

Characteristics

PSA：

36.7

XLogP3：

1.6

Density：

1.72±0.1 g/cm3(Predicted)

Melting Point：

78-80°C

Boiling Point：

243.4±20.0 °C(Predicted)

Flash Point：

101.0±21.8 °C

Refractive Index：

1.612

Water Solubility：

Insoluble in water.

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN3439

hazard class code：

22-37/38-41

safety instructions：

26-39

Marks：

Xi,Xn

GHS Classification：

|Danger|H301+H311+H331 (28.57%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 7 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-Bromo-4-cyanopyridine Use and Manufacturing

Under nitrogen atmosphere, a mixture of intermediate 9A (1.09 g, 1.77 mmol) in dioxane, Under nitrogen atmosphere, a mixed solution of intermediate 7F in dioxane solution (210.00 mg, 338.43 mumol), To a stirred solution of reference example 16c (3 g, 7.81 mmol) in toluene (30 mL), To a stirred solution of To a stirred solution of

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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