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3-Chloropicolinic acid

3-Chloropicolinic acid structure

CAS No:
57266-69-0
Formula:
C6H4ClNO2
Chemical Name:
3-Chloropicolinic acid
Synonyms:
IFLAB-BB F1926-0037;3-CHLOROPYRIDINE-2-CARBOXYLIC ACID;3-CHLOROPICOLINIC ACID;3-Chloropyridine-2-carboxylicacid98%;3-Chloro-2-Pyridinecarboxylic;3-Chloro-2-picolinic acid;3-Chloropicolinic acid, 2-Carboxy-3-chloropyridine
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

Off-White Solid

3-Chloropicolinic acid Basic Attributes

Molecular Weight：

157.55

Exact Mass：

156.993057

DSSTox ID：

DTXSID00356458

HScode：

2933399090

Characteristics

PSA：

50.2

XLogP3：

1.3

Appearance：

White to brown Crystalline Powder

Density：

1.5±0.1 g/cm3

Melting Point：

148-150°C

Boiling Point：

297.6°C at 760 mmHg

Flash Point：

133.8±21.8 °C

Refractive Index：

1.590

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

22-36

safety instructions：

Marks：

Xi,Xn

Precautionary statement(s)：

P305 + P351 + P338

Hazard Statements：

H302-H319

GHS Classification：

|Warning|H302 (87.23%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 47 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3-Chloropicolinic acid Use and Manufacturing

Methods of Manufacturing

3-Chloro-2-picolinic acid (47.3 mg, 0.3 mmol), styrene (33 muL, 0.3 mmol), tert-butyl hypochlorite (68 muL, 0.6 mmol) was weighed into a 25 mL Schlenk reaction flask.Then THF (1 mL) was added and placed in a 25 C oil bath for 6 h. After the reaction, The solvent was removed under reduced pressure, using petroleum ether / ethyl acetate as eluent, The yield of the product was 63%.

Uses

A useful synthetic intermediate

Computed Properties

Molecular Weight:157.55
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:156.9930561
Monoisotopic Mass:156.9930561
Topological Polar Surface Area:50.2
Heavy Atom Count:10
Complexity:140
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Toluene

Ethyl acetate

Zinc acetate dihydrate

Sodium nitrite

Hydrochloric acid

Sulfuric acid

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3-Chloropicolinic acid

CAS No.: 57266-69-0

Content: 99.00%

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