5-(Chloromethyl)-1H-tetrazole

Basic Information

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CAS Number

55408-11-2

Molecular Formula

C2H3ClN4

Molecular Weight

118.53 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Water Treatment Chemicals Disinfectants Chlorine Compounds

Basic Physical Properties

Melting Point

86-92°C

Boiling Point

293.9°C at 760 mmHg

Density

1.578

Flash Point

159.447 °C

Refractive Index

1.572

SMILES

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C(C1=NNN=N1)Cl

InChI

InChI=1S/C2H3ClN4/c3-1-2-4-6-7-5-2/h1H2,(H,4,5,6,7)

InChIKey

AGWSISOYPHROLN-UHFFFAOYSA-N

LogP

-0.061500000000000055

Topological Polar Surface Area

54.46 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

57.7

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

SY025323
AKOS006280969
5-Chloromethyltetrazole
5-(chloromethyl)-1H-1,2,3,4-tetrazole
5-CHLOROMETHYL-1(2)H-TETRAZOLE
AM20100360
5-Chloromethyl-1H-Tetrazole
5-(Chloromethyl)-1H-tetrazole
55408-11-2
5-(Chloromethyl)tetrazole
AB15715
AKOS015850549
1H-Tetrazole, 5-(chloromethyl)-
AS-12407
F2167-4211
5-(chloromethyl)-2H-tetrazole
AGWSISOYPHROLN-UHFFFAOYSA-N
5-CHLOROMETHYL-2H-TETRAZOLE
DTXSID90480377
J-516310
SCHEMBL1097687
BCP15307
MFCD00512845
chloromethyltetrazole
EN300-95378
FT-0601197
A830632
5-Chloromethyl-1H-tetrazole
5-chloromethylTetrazole
5-Chlromethyl-1H-tetrazole
1H-Tetrazole,5-(chloromethyl)- (9CI)

MDL Number

MFCD00512845

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 5-(Chloromethyl)-1H-tetrazole (CAS: 55408-11-2)?

5-(Chloromethyl)-1H-tetrazole (CAS: 55408-11-2) is a crystalline compound with a molecular weight of approximately 142.54 g/mol. It is sparingly soluble in water but soluble in organic solvents like methanol and ethanol. The compound is reactive towards nucleophiles and can undergo substitution reactions. It is stable under normal conditions but should be stored in a cool, dry place away from direct sunlight.

How is 5-(Chloromethyl)-1H-tetrazole (CAS: 55408-11-2) typically synthesized?

5-(Chloromethyl)-1H-tetrazole (CAS: 55408-11-2) is typically synthesized by reacting chloromethyl ketone with hydrazine hydrate in the presence of an acid catalyst such as hydrochloric acid. The reaction involves condensation to form the tetrazole ring, with a yield of around 70-80%. The method is selective and efficient, making it a preferred route for industrial production.

What industries use 5-(Chloromethyl)-1H-tetrazole (CAS: 55408-11-2)?

5-(Chloromethyl)-1H-tetrazole (CAS: 55408-11-2) is mainly used in the pharmaceutical industry for the synthesis of various medicinal compounds. It also finds applications in the polymer industry for modifying polymers, and in the sensor industry for the development of gas sensors. Its reactivity makes it valuable in semiconductor manufacturing for etching and other processes.

What precautions should be taken when handling 5-(Chloromethyl)-1H-tetrazole (CAS: 55408-11-2)?

When handling 5-(Chloromethyl)-1H-tetrazole (CAS: 55408-11-2), it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be used in a well-ventilated area or in a fume hood to minimize exposure. Spills should be cleaned up immediately with the appropriate absorbent material, and the area should be flushed with water. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal instructions.