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2-Bromo-4-chloropyridine

2-Bromo-4-chloropyridine structure

CAS No:
22918-01-0
Formula:
C5H3BrClN
Chemical Name:
2-Bromo-4-chloropyridine
Synonyms:
2-BROMO-4-CHLOROPYRIDINE;4-CHLORO-2-BROMOPYRIDINE;Pyridine, 2-bromo-4-chloro-;2-broMo-4-pyridyl chloride;2-broMo -4-chlorine pyridine;2-Bromo-4-chloropyridine 95%
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

Light yellow liquid

2-Bromo-4-chloropyridine Basic Attributes

Molecular Weight：

192.44

Exact Mass：

190.913727

DSSTox ID：

DTXSID80376497

HScode：

2933399090

Characteristics

PSA：

12.9

XLogP3：

2.5

Appearance：

light yellow liquid

Density：

1.7±0.1 g/cm3

Melting Point：

<30℃

Boiling Point：

98°C

Flash Point：

>110℃

Refractive Index：

1.581

Storage Conditions：

Room temperature.

Vapor Pressure：

0.19mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38-41-37/38-22

safety instructions：

26-36/37/39-39

Marks：

Xi,Xn

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302-H315-H318-H335

GHS Classification：

|Danger|H302 (97.87%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, 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 47 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-Bromo-4-chloropyridine Use and Manufacturing

To an aqueous solution of 48percent strength hydrobromic acid (82 rnL) at 0 Step 1. 2-bromo-4-chloropyridineTo an aqueous solution of 48percent strength hydrobromic acid (82 rnL) at 0 To a cold(-5 C) 48percent aqueous HBr solution (35mL) was added 4-chloro- pyridin-2-ylamine (4.18 g, 32.5 mmol ; prepared according to K. S. Gudmundsson et al ; Synth. Commun. (1997), 27, 861), followed by the slow addition of bromine (6.7 mL, 0.13 mole). After 20 min sodium nitrite (8.63 g, 0.125 mole) in water (40 mL) was added at the same temperature and stirring was continued for 30 min. The reaction was quenched under ice cooling with 10 N NaOH (ca 40 mL) to alkaline pH. The product was extracted into EtOAc (2 x 100 mL) and dried (Na2SO4). The crude material was purified using a Biotage 40 M column (eluted with 10percent EtOAc in hexanes) to afford the title compound (2.50 g, 40percent) as a colorless oil that solidified upon standing. 'H NMR: (DMSO-d6)8 7.64 (dd, J=1.5, 5.5 Hz, 1H), 7.94 (d, J=1.5 Hz, 1H), 8.40 (d, J=5. 5 Hz, 1H) ; LC/MS rt-min(MH) : 1.65 (192, 194, 196) (method B).

Computed Properties

Molecular Weight:192.44
XLogP3:2.5
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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CAS No.: 22918-01-0

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CAS No.: 22918-01-0

Grade: Industrial Grade

Content: 99%

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