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2-Chloro-4-iodo-3-methylpyridine

2-Chloro-4-iodo-3-methylpyridine structure

CAS No:
153034-88-9
Formula:
C6H5ClIN
Chemical Name:
2-Chloro-4-iodo-3-methylpyridine
Synonyms:
Pyridine,2-chloro-4-iodo-3-methyl-;2-Chloro-4-iodo-3-methylpyridine;2-Chloro-4-iodo-3-picoline
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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2-Chloro-4-iodo-3-methylpyridine Basic Attributes

Molecular Weight：

253.47

Exact Mass：

253.47

DSSTox ID：

DTXSID90435387

HScode：

2933399090

Characteristics

PSA：

12.9

XLogP3：

2.8

Density：

1.906±0.06 g/cm3(Predicted)

Melting Point：

101-106℃

Boiling Point：

274.9±35.0 °C(Predicted)

Flash Point：

120.1±25.9 °C

Refractive Index：

1.624

Vapor Pressure：

0.009mmHg at 25°C

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

22-41

safety instructions：

26-39

Marks：

Precautionary statement(s)：

P280-P305 + P351 + P338

Hazard Statements：

H302-H318

GHS Classification：

|Danger|H302 (86.36%): 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 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-Chloro-4-iodo-3-methylpyridine Use and Manufacturing

Step 15-1. 4-Iodo-N, N, 3-trimethylpyridine-2-amine (Compound 15b) A DMF (7.9 mL) solution of 2-chloro-4-iodo-3-methylpyridine (Compound 15a, 500 mg, 1.97 mmol), N-ethyl-N-propan-2-ylpropane-2-amine (0.515 mL, 2.96 mmol), and a THF solution (2.96 mL, 5.92 mmol) of 2M dimethylamine was stirred at 130 C. for 17 h., then the solution was cooled to room temperature and formic acid (0.4 mL) was added. The solution was purified by reversed-phase chromatography (acetonitrile/water, 0.1% formic acid) to obtain the titled Compound 15b (258 mg, yield 50%) as a light brown solution.

Computed Properties

Molecular Weight:253.47
XLogP3:2.8
Hydrogen Bond Acceptor Count:1
Exact Mass:252.91552
Monoisotopic Mass:252.91552
Topological Polar Surface Area:12.9
Heavy Atom Count:9
Complexity:99.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-Chloro-4-iodo-3-methylpyridine

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

2-Chloro-4-iodo-3-methylpyridine

SDS

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