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6-Chloronicotinic acid

6-Chloronicotinic acid structure

CAS No:
5326-23-8
Formula:
C6H4ClNO2
Chemical Name:
6-Chloronicotinic acid
Synonyms:
3-Pyridinecarboxylic acid,6-chloro-;Nicotinic acid,6-chloro-;6-Chloro-3-pyridinecarboxylic acid;6-Chloronicotinic acid;2-Chloro-5-pyridinecarboxylic acid;3-Carboxy-6-chloropyridine;NSC 277;6-Chloropyridin-3-carboxylic acid
Categories:
Active Pharmaceutical Ingredients > Feed Additive

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Description

Off-white to beige crystalline powder

6-Chloronicotinic acid is a member of pyridines and an aromatic carboxylic acid.

6-Chloronicotinic acid Basic Attributes

Molecular Weight：

157.55

Exact Mass：

157.55

BRN：

115993

EC Number：

226-201-5

UNII：

99V0U0120A

NSC Number：

277

DSSTox ID：

DTXSID6063775

HScode：

29333999

Characteristics

PSA：

50.2

XLogP3：

2.7

Appearance：

Off-white to beige Crystalline Powder

Density：

1.5±0.1 g/cm3

Melting Point：

199 °C

Boiling Point：

330.1°C at 760 mmHg

Flash Point：

192°C

Refractive Index：

1.590

Water Solubility：

soluble in water (2 mg/ml at 20°C), ethanol, methanol, DMSO, and slightly soluble in chloroform.deionized water: soluble

Storage Conditions：

Store below +30°C.

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36-24/25-37/39

Marks：

Hazard note：

Irritant

Stability/Shelf Life：

Stable. Incompatible with strong oxidizing agents.

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 136 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

6-chloronicotinic acid

6-Chloronicotinic acid Use and Manufacturing

Uses

6-chloronicotinic acid is a key intermediate of tazarotene and other drugs, and can also be used in the synthesis of emerging pesticide products. 6-chloronicotinic acid is a carboxylic acid derivative and can be used as a pharmaceutical intermediate.

Manufacturing Info：

3-Pyridinecarboxylic acid, 6-chloro-: ACTIVE

Use Classification：

Transformation products|Environmental transformation -> Pesticide transformation products (metabolite, successor)

Agrochemical：

6-chloro-nicotinic acid is a known environmental transformation product of acetamiprid.|6-chloronicotinic-acid is a known environmental transformation product of Imidacloprid.

Computed Properties

Molecular Weight:157.55
XLogP3:2.7
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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