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6-Chloropicolinic acid

6-Chloropicolinic acid structure

CAS No:
4684-94-0
Formula:
C6H4ClNO2
Chemical Name:
6-Chloropicolinic acid
Synonyms:
2-Pyridinecarboxylic acid,6-chloro-;Picolinic acid,6-chloro-;6-Chloro-2-pyridinecarboxylic acid;6-Chloropicolinic acid;NSC 51587;2-Chloropyridine-6-carboxylic acid;6-Chloro-3-picolinic acid
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

Off-white Plates

6-Chloropicolinic acid Basic Attributes

Molecular Weight：

157.55

Exact Mass：

157.55

UNII：

5WSZ6GQ419

NSC Number：

51587

DSSTox ID：

DTXSID7040289

HScode：

29339900

Characteristics

PSA：

50.2

XLogP3：

1.7

Appearance：

Off-white Plates

Density：

1.5±0.1 g/cm3

Melting Point：

190 °C

Boiling Point：

323.2°C at 760 mmHg

Flash Point：

149.3±22.3 °C

Refractive Index：

1.590

Water Solubility：

3.40g/L(temperature not stated)

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S37/39

RTECS Number：

TJ7535000

Marks：

Xi:Irritant

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 45 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Mobility：

23.44 L/kg

Drug Information

MeSH Entry Terms：

6-chloropicolinic acid

6-Chloropicolinic acid Use and Manufacturing

Methods of Manufacturing

2-chloro-6-trichloromethylpyridine (115.5 g, 0.5 mol) and 98percent concentrated sulfuric acid (60 g, 0.6 mol) were sequentially added to a 500 mL three-necked flask equipped with a thermometer, and heated to 100 ° C for 8.0 h. . After the reaction was completed, the temperature was lowered to 60 ° C, 27percent aqueous ammonia was added dropwise and neutralized to pH = 7. After cooling to room temperature and stirring, a solid was precipitated and suction filtered to give a white solid, yield: 90percent, m.p.: 192 to 193

Use Classification：

NITROGEN STABILIZERS

Computed Properties

Molecular Weight:157.55
XLogP3:1.7
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

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