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3-Bromo-5-chloropyridine

3-Bromo-5-chloropyridine structure

CAS No:
73583-39-8
Formula:
C5H3BrClN
Chemical Name:
3-Bromo-5-chloropyridine
Synonyms:
3-BROMO-5-CHLOROPYRIDINE;5-bromo-3-chloropyridine;3-Bromo-5-chloropyri;3-broMo -5-chlorine pyridine;3--5-chlorine pyridinebroMide;3-BroMo-5-chloropyridine 97%;3-Bromo-5-chloropyridine,95%
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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3-Bromo-5-chloropyridine Basic Attributes

Molecular Weight：

192.44

Exact Mass：

190.913727

EC Number：

1308068-626-2

DSSTox ID：

DTXSID50345670

HScode：

2933399090

Characteristics

PSA：

12.9

XLogP3：

2.6

Appearance：

White to brown Crystalline Powder

Density：

1.7±0.1 g/cm3

Melting Point：

80-82°C

Boiling Point：

194.7ºC at 760 mmHg

Flash Point：

71.5±21.8 °C

Refractive Index：

1.581

Safety Information

Packing level：

III

Hazard category：

IRRITANT

Transport codes：

UN28116.1/PG3

wgk germany：

hazard class code：

20/21/22-36/37/38-41-37/38-22

safety instructions：

26-36/37/39

Marks：

Xi,Xn

Hazard note：

Irritant

Precautionary statement(s)：

P261-P280-P301 + P310-P305 + P351 + P338

Hazard Statements：

H301-H315-H318-H335

GHS Classification：

|Danger|H301 (86.96%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 46 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3-Bromo-5-chloropyridine Use and Manufacturing

General procedure: V1 (1.00 equivalent), bromo-chloro-pyridine (1 .1 equivalents), tris(dibenzylideneacetone)dipalladium(0) Pd2(dba)3 (0.04 equivalents, CAS: 51364-51 -3), X-Phos (0.08 equivalents, CAS 564483-18-7) and potassium phosphate (K3PO4, 3.0 equivalents) are stirred under nitrogen atmosphere in toluene/H20 (6:1 ) at 80C for 16 h. After cooling down to room temperature (RT) and the reaction mixture is poured onto water, solid is collected and washed with cyclohexane and dried under vacuumA mixture of l -(morpholin-4-yl)-N- {5-[4-oxo-7-(4, 4, 5, 5-tetramethyl-l, 3, 2-dioxaborolan-2- yl)quinazolin-3(4H)-yl]-2-(trifluoromethoxy)phenyl}cyclopropanecarboxamide (185 mg, 70percent purity, 216 muetaiotaomicron),

Computed Properties

Molecular Weight:192.44
XLogP3:2.6
Hydrogen Bond Acceptor Count:1
Exact Mass:190.91374
Monoisotopic Mass:190.91374
Topological Polar Surface Area:12.9
Heavy Atom Count:8
Complexity:78.8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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