4-Bromo-3-methylisothiazole

Basic Information

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CAS Number

930-42-7

Molecular Formula

C4H4BrNS

Molecular Weight

178.05 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

106.1 ºC

Density

1.702

Flash Point

17.9 ºC

SMILES

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CC1=NSC=C1Br

InChI

InChI=1S/C4H4BrNS/c1-3-4(5)2-7-6-3/h2H,1H3

InChIKey

IXHNFDZCYLIMQS-UHFFFAOYSA-N

LogP

2.2140200000000005

Topological Polar Surface Area

12.89 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

68.7

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

4-Bromo-3-methyl-isothiazole
4-bromo-3-methyl-1,2-thiazole
4-bromo-3-methylIsothiazole
Isothiazole,4-bromo-3-methyl-
4-Bromo-3-methylisothiazole (ACI)
SCHEMBL2745575
4-bromo-3-methylisothiazole
DTXSID80617695
CS-0139679
DB-079466
AS-30214
AKOS006309278
4-BROMO-3-METHYL-ISOTHIAZOLE
J-514743
MFCD11110311
930-42-7
SB40016
EN300-114492

MDL Number

MFCD11110311

FAQ

What is 4-Bromo-3-methylisothiazole (CAS: 930-42-7)?

4-Bromo-3-methylisothiazole (CAS: 930-42-7) is an organobromine compound with the molecular formula C5H5BrNO. It is a clear to pale yellow liquid with a strong aromatic odor. This compound is widely used as a biocide in water treatment, preservative in personal care products, and fungicide in agriculture.

What are the main uses of 4-Bromo-3-methylisothiazole (CAS: 930-42-7)?

4-Bromo-3-methylisothiazole (CAS: 930-42-7) is primarily used as a preservative and biocide in a wide range of applications. It is commonly used in water treatment to prevent microbial growth, in personal care products to extend shelf life, and as a fungicide in agricultural settings to protect crops.

Is 4-Bromo-3-methylisothiazole (CAS: 930-42-7) safe?

4-Bromo-3-methylisothiazole (CAS: 930-42-7) is generally considered safe when used as directed. It is classified as a skin and eye irritant, and prolonged or repeated exposure may cause skin irritation. Appropriate personal protective equipment (PPE) such as gloves and goggles should be worn when handling this compound. Storage and use should be in a well-ventilated area, and it should be kept away from direct sunlight and heat sources.

How should 4-Bromo-3-methylisothiazole (CAS: 930-42-7) be stored?

4-Bromo-3-methylisothiazole (CAS: 930-42-7) should be stored in a cool, dry, and well-ventilated place, away from direct sunlight and heat sources. It should be kept in a tightly sealed container made of appropriate materials, such as glass or food-grade plastic. The storage area should be labeled clearly to indicate the presence of this compound and its potential hazards.