6-Fluoro-2-hydrazino-1,3-benzothiazole

Basic Information

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CAS Number

78364-55-3

Molecular Formula

C7H6FN3S

Molecular Weight

183.21 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 Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Boiling Point

351.1±44.0°C at 760 mmHg

SMILES

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C1=CC2=C(C=C1F)SC(=N2)NN

InChI

InChI=1S/C7H6FN3S/c8-4-1-2-5-6(3-4)12-7(10-5)11-9/h1-3H,9H2,(H,10,11)

InChIKey

QODXZESJVXQCSC-UHFFFAOYSA-N

LogP

1.721

Topological Polar Surface Area

50.94 Å²

Hydrogen Bond Donor/Acceptor

3 / 3

Complexity

169

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

6-Fluoro-2(3H)-benzothiazolone ydrazone
(6-Fluoro-benzothiazol-2-yl)-hydrazine
2-hydrazino-6-fluoro-benzothiazole
A839404
SCHEMBL2117433
6-fluoro-2-hydrazinylbenzo[d]thiazole
CHEMBL1241371
C76506
FT-0700969
(6-fluoranyl-1,3-benzothiazol-2-yl)diazane
F1908-0016
DS-12459
SMR000237118
MFCD04448803
6-Fluoro-2-hydrazino-1,3-benzothiazole
78364-55-3
C7H6FN3S
AKOS000428240
MLS000724920
DTXSID20365941
EN300-214120
1-(6-FLUOROBENZO[D]THIAZOL-2-YL)HYDRAZINE
HMS2544H15
CS-0071043
(6-fluoro-1,3-benzothiazol-2-yl)hydrazine
6-fluoro-2-hydrazinyl-1,3-benzothiazole
cid_2049844
BDBM56591
BB 0246102
Benzothiazole,6-fluoro-2-hydrazinyl-
1-(6-Fluorobenzo[d]thiazol-2-yl)hydrazine

MDL Number

MFCD04448803

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 6-Fluoro-2-hydrazino-1,3-benzothiazole (CAS: 78364-55-3)?

6-Fluoro-2-hydrazino-1,3-benzothiazole (CAS: 78364-55-3) is a crystalline solid with a molecular weight of approximately 237.07 g/mol. It is poorly soluble in water but soluble in organic solvents like dimethylformamide (DMF) and dimethyl sulfoxide (DMSO). Chemically, it is relatively stable but can undergo hydrolysis under basic conditions. It reacts readily with various electrophiles, making it a versatile reagent in organic synthesis.

How is 6-Fluoro-2-hydrazino-1,3-benzothiazole (CAS: 78364-55-3) typically synthesized?

6-Fluoro-2-hydrazino-1,3-benzothiazole can be synthesized via a multi-step process involving the formation of a benzothiazole derivative followed by hydrazinolysis. Commonly, a benzothiazole ring is first prepared from thiourea and an aldehyde. Hydrazinolysis is then performed using hydrazine hydrate. This method provides good yields and high selectivity, with careful control of reaction conditions ensuring optimal results.

What industries use 6-Fluoro-2-hydrazino-1,3-benzothiazole (CAS: 78364-55-3)?

6-Fluoro-2-hydrazino-1,3-benzothiazole (CAS: 78364-55-3) finds applications in pharmaceuticals, where it serves as a key intermediate in the synthesis of drug candidates. It is also used in the preparation of polymers and sensors. Its unique chemical properties make it suitable for developing semiconductors and other advanced materials.

What precautions should be taken when handling 6-Fluoro-2-hydrazino-1,3-benzothiazole (CAS: 78364-55-3)?

When handling 6-Fluoro-2-hydrazino-1,3-benzothiazole (CAS: 78364-55-3), it is essential to follow strict safety protocols. Use personal protective equipment (PPE) including gloves, goggles, and a lab coat. Store the compound in a cool, dry place away from direct sunlight. Work in a fume hood to avoid inhalation of potentially toxic fumes. In case of spill, use appropriate containment and clean up according to safety data sheet (SDS) guidelines. Refer to the SDS for detailed emergency procedures.