5-Chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine

Basic Information

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CAS Number

51322-75-9

Molecular Formula

C9H8ClN5S

Molecular Weight

253.72 g/mol

Chemical Classification

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

221-223°

Boiling Point

391.2 °C at 760 mmHg

Density

1.82

Flash Point

190.4 °C

Solubility

H2O: ~29 mg/mL

SMILES

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C1CN=C(N1)NC2=C(C=CC3=NSN=C32)Cl

InChI

InChI=1S/C9H8ClN5S/c10-5-1-2-6-8(15-16-14-6)7(5)13-9-11-3-4-12-9/h1-2H,3-4H2,(H2,11,12,13)

InChIKey

XFYDIVBRZNQMJC-UHFFFAOYSA-N

LogP

1.7157999999999995

Topological Polar Surface Area

62.2 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

300

Safety Information

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Toxicity

LD50 orally in mice: 235 mg/kg (Sayers)

Synonyms & References

English

HMS3886K10
BCP12884
BRN 0618691
s5537
TIZANIDINE [WHO-DD]
BIDD:GT0580
Q423538
CHEMBL1079
CCG-266992
5-Chloro-N-(4,5-dihydro-1H-imidazol-2-yl)benzo[c][1,2,5]thiadiazol-4-amine
N-(5-Chloro-2,1,3-benzothiadiazol-4-yl)-N-(4,5-dihydro-1H-imidazol-2-yl)amine #
SR-01000765392-2
Tizanidinum [INN-Latin]
M03BX02
UNII-6AI06C00GW
D08611
L001084
2,1,3-Benzothiadiazole-4-amine, 5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-
5-Chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-benzo[c][1,2,5]thiadiazol-4-amine
Sirdalud (TN)
A828535
TIZANIDINE [MI]
SR-01000765392
DB00697
NCGC00160529-06
Tox21_111876
FT-0639985
AB00698468-06
(5-Chloro-benzo[1,2,5]thiadiazol-4-yl)-(4,5-dihydro-1H-imidazol-2-yl)-amine
TIZANIDINE [VANDF]
HY-B0194

MDL Number

MFCD00865192

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 5-Chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine (CAS: 51322-75-9)?

5-Chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine (CAS: 51322-75-9) is a crystalline solid with a molecular weight of approximately 310.02 g/mol. It has a solubility of about 0.3 g/L in water and is slightly soluble in ethanol. Chemically, it 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 moisture and heat sources.

How is 5-Chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine (CAS: 51322-75-9) typically synthesized?

5-Chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine (CAS: 51322-75-9) is typically synthesized via a multi-step reaction involving the condensation of 5-chloro-2,1,3-benzothiadiazol-4-amine with 4,5-dihydro-1H-imidazole. The reaction is catalyzed by a mild base and proceeds with good selectivity, yielding a high percentage of the desired product.

What industries use 5-Chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine (CAS: 51322-75-9)?

5-Chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine (CAS: 51322-75-9) is used in various industries, including pharmaceuticals for its potential as an antifungal agent, and in the synthesis of other chemical intermediates. It also finds applications in the production of sensors for detecting various gases and in semiconductor manufacturing due to its unique electronic properties.

What precautions should be taken when handling 5-Chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine (CAS: 51322-75-9)?

When handling 5-Chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine (CAS: 51322-75-9), it is essential to use appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. The substance should be handled in a well-ventilated area, preferably under a fume hood. In case of spills, immediately clean up with appropriate absorbents and dispose of according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed safety information.