2-Pyrimidinecarboximidamide Hydrochloride

Basic Information

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CAS Number

138588-40-6

Molecular Formula

C5H7ClN4

Molecular Weight

158.59 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

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

180-1830C (Sublimation)

Boiling Point

313.1°C at 760 mmHg

SMILES

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C1=CN=C(N=C1)C(=N)N.Cl

InChI

InChI=1S/C5H6N4.ClH/c6-4(7)5-8-2-1-3-9-5;/h1-3H,(H3,6,7);1H

InChIKey

LZIYBABLVXXFGZ-UHFFFAOYSA-N

LogP

0.18247000000000002

Topological Polar Surface Area

75.65 Å²

Hydrogen Bond Donor/Acceptor

3 / 4

Complexity

106

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

LZIYBABLVXXFGZ-UHFFFAOYSA-N
NE-0702
SCHEMBL628534
BCP08838
F8889-9269
2-amidinopyrimidine hydrochloride
Pyrimidine-2-carboximidamide--hydrogen chloride (1/1)
FT-0600167
Z992717154
AC-6946
AM20120505
EN300-61410
CS-M1221
2-Amidinopyrimidinehydrochloride
2-Amidinopyrimidine HCl
DTXSID30621166
2-Pyrimidinecarboximidamide hydrochloride
SY101920
2-Amidinopyrimidine, HCl
pyrimidin-2-carboxamidine hydrochloride
AKOS015844084
2-Pyrimidinecarboximidamide, monohydrochloride
138588-40-6
pyrimidine-2-carboximidamide;hydrochloride
METHYL4-TRIFLUOROMETHYLBENZOYLACETATE
pyrimidine-2-carboximidamide hydrochloride
MFCD02677965
pyrimidine2-carboxamidine HCl
2-Pyrimidinecarboximidamide, hydrochloride (1:1)
2-Amidinopyrimidine hydrochloride
AMDPM-HCL

MDL Number

MFCD02677965

Customs Code

2933599090

FAQ

What are the physical and chemical properties of 2-Pyrimidinecarboximidamide Hydrochloride (CAS: 138588-40-6)?

2-Pyrimidinecarboximidamide Hydrochloride is a white crystalline solid with a molecular weight of approximately 201.64 g/mol. It has a solubility of about 1.1 g/100 mL in water at 25°C. This compound shows moderate reactivity, particularly with nucleophiles and bases. It is slightly soluble in common organic solvents like ethanol and acetone.

How is 2-Pyrimidinecarboximidamide Hydrochloride (CAS: 138588-40-6) typically synthesized?

2-Pyrimidinecarboximidamide Hydrochloride is typically synthesized from 2-pyrimidinecarboxamide and hydrochloric acid. The reaction involves the protonation of the amide to form the chloride salt. Commonly, this is done under mild acidic conditions. The yield is around 85-90%, and the reaction is selective and robust.

What industries use 2-Pyrimidinecarboximidamide Hydrochloride (CAS: 138588-40-6)?

2-Pyrimidinecarboximidamide Hydrochloride is used in pharmaceuticals for its potential as an antimicrobial agent and in the development of anti-inflammatory drugs. It is also used in the synthesis of polymers and as a reagent in organic chemistry research. Additionally, it has applications in the production of sensors and semiconductors.

What precautions should be taken when handling 2-Pyrimidinecarboximidamide Hydrochloride (CAS: 138588-40-6)?

When handling 2-Pyrimidinecarboximidamide Hydrochloride, it is important to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. It should be stored in a cool, dry place away from direct sunlight. Spills should be handled using appropriate absorbents, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal information.