Isonicotinoyl chloride hydrochloride (1:1)

Basic Information

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CAS Number

39178-35-3

Molecular Formula

C6H5Cl2NO

Molecular Weight

178.02 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

159-161 °C

Boiling Point

252.9 °C at 760 mmHg

Density

1.2970

Water Solubility

almost transparency

Flash Point

106.8 °C

Solubility

methanol: soluble50mg/mL, clear to hazy, colorless to light yellow

SMILES

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C1=CN=CC=C1C(=O)Cl.Cl

InChI

InChI=1S/C6H4ClNO.ClH/c7-6(9)5-1-3-8-4-2-5;/h1-4H;1H

InChIKey

BNTRVUUJBGBGLZ-UHFFFAOYSA-N

LogP

1.8823999999999996

Topological Polar Surface Area

29.96 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

110

Safety Information

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GHS Hazard Pictograms

H314

Hazard Statement

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

Hazard Class

Class 8 Class 8

Sensitiveness

Moisture Sensitive

Synonyms & References

English

4-Pyridinecarbonyl chloride, hydrochloride (1:1)
A824440
4-Pyridoyl chloride hydrochloride
4-Pyridinecarboxylic acid chloride hydrochloride
4-pyridinecarbonyl chloride-HCl
W-106454
FT-0627429
isonicotinic acid chloride hydrochloride
Isonicotinoyl chloride hydrochloride, 95%
Isonicotinoyl chloride hydrogen chloride
isonicotinoyl chloride-hydrochloride
AC-25729
NSC91025
4-Pyridinecarbonyl chloride, hydrochloride
isonicotinoylchloride hydrochloride salt
pyridine-4-carboxylic acid chloride hydrochloride
AM20051141
4-pyridinecarbonyl chloride hydrochloride
pyridine-4-carbonyl chloride;hydrochloride
BNTRVUUJBGBGLZ-UHFFFAOYSA-N
pyridine-4-carbonylchloride hydrochloride
Isonicotinoyl chloride hydrochloric acid
Isonicotinoyl chloride, HCl
I0144
F2190-0157
SCHEMBL26328
Isonicotinoyl chloride hydrochloride
MFCD00012830
isonicotinoylchloride hydrochloride
NSC-91025
39178-35-3

MDL Number

MFCD00012830

Customs Code

2933399090

FAQ

What is Isonicotinoyl chloride hydrochloride (CAS: 39178-35-3)?

Isonicotinoyl chloride hydrochloride (CAS: 39178-35-3) is a compound with the molecular formula C6H5NO2Cl·HCl. It is a derivative of nicotinoyl chloride and is used in the synthesis of various pharmaceuticals and research reagents.

What are the main uses of Isonicotinoyl chloride hydrochloride (CAS: 39178-35-3)?

Isonicotinoyl chloride hydrochloride (CAS: 39178-35-3) is primarily used in the pharmaceutical industry for the synthesis of certain drug intermediates. It is also utilized in research for the preparation of organic compounds and as a reagent in various chemical reactions.

Is Isonicotinoyl chloride hydrochloride (CAS: 39178-35-3) safe?

Isonicotinoyl chloride hydrochloride (CAS: 39178-35-3) is generally considered safe when handled with appropriate precautions. However, it is corrosive and can cause irritation if it comes into contact with the skin or eyes. It should be stored in a well-ventilated area and away from sources of ignition. Proper protective equipment, such as gloves and safety goggles, should be worn during handling.

How should Isonicotinoyl chloride hydrochloride (CAS: 39178-35-3) be stored?

Isonicotinoyl chloride hydrochloride (CAS: 39178-35-3) should be stored in a cool, well-ventilated area, away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent moisture absorption. Storage containers should be made of materials that do not react with the compound, such as glass or plastic, to ensure chemical stability and safety.