4-Bromo-3-methyl-1,2-thiazol-5-amine

Basic Information

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CAS Number

85508-99-2

Molecular Formula

C4H5BrN2S

Molecular Weight

193.07 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

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

102-106 °C

Boiling Point

154.5 °C at 760 mmHg

Density

1.806

Flash Point

47.2 °C

SMILES

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CC1=NSC(=C1Br)N

InChI

InChI=1S/C4H5BrN2S/c1-2-3(5)4(6)8-7-2/h6H2,1H3

InChIKey

IICJMPBBIYDDKJ-UHFFFAOYSA-N

LogP

1.79622

Topological Polar Surface Area

38.91 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

90.1

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H318 Causes serious eye damage
Serious eye damage/eye irritation

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

Synonyms & References

English

EN300-134686
AKOS006275190
J-514742
AT21089
4-bromo-3-methyl-isothiazol-5-amine
MFCD00159755
DTXSID80590090
4-Bromo-3-methyl-isothiazol-5-ylamine
4-Bromo-3-methylisothiazol-5-amine
IICJMPBBIYDDKJ-UHFFFAOYSA-N
A900015
SCHEMBL986891
FT-0743287
AS-5693
CS-0089683
3-methyl-4-bromo-5-aminoisothiazole
5-AMINO-4-BROMO-3-METHYLISOTHIAZOLE
5-Amino-4-bromo-3-methylisothiazole, 97%
4-bromo-3-methyl-1,2-thiazol-5-amine
85508-99-2
4-BROMO-3-METHYL-ISOTHIAZOL-5-YLAMINE
4-bromo-3-methyl-5-Isothiazolamine
4-Bromo-3-Methylisothiazol-5-Amine
4-Brom-5-amino-3-methyl-isothiazol
5-Amino-4-brom-3-methyl-isothiazol
5-Isothiazolamine,4-bromo-3-methyl
4-Bromo-3-methylisothiazol-5-ylamine

MDL Number

MFCD00159755

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 4-Bromo-3-methyl-1,2-thiazol-5-amine (CAS: 85508-99-2)?

4-Bromo-3-methyl-1,2-thiazol-5-amine (CAS: 85508-99-2) is a crystalline solid with a molecular weight of approximately 217.01 g/mol. It has a melting point around 140-142°C and is slightly soluble in water. The compound is known for its reactivity towards nucleophiles and electrophiles, making it useful in various organic reactions.

How is 4-Bromo-3-methyl-1,2-thiazol-5-amine (CAS: 85508-99-2) typically synthesized?

4-Bromo-3-methyl-1,2-thiazol-5-amine is commonly synthesized via reductive amination of 4-bromo-3-methyl-1,2-thiazol-5-one with an amine such as methylamine. The reaction is catalyzed by a metal complex and typically yields a 70-80% pure product with good selectivity. The process requires careful control of temperature and reaction conditions to achieve optimal results.

What industries use 4-Bromo-3-methyl-1,2-thiazol-5-amine (CAS: 85508-99-2)?

4-Bromo-3-methyl-1,2-thiazol-5-amine (CAS: 85508-99-2) is used in various industries, particularly in pharmaceuticals for its antimicrobial and antibacterial properties. It is also utilized in sensor technology and some polymer formulations due to its thiazole ring, which can enhance material properties.

What precautions should be taken when handling 4-Bromo-3-methyl-1,2-thiazol-5-amine (CAS: 85508-99-2)?

When handling 4-Bromo-3-methyl-1,2-thiazol-5-amine (CAS: 85508-99-2), it is essential to use respiratory protection, such as a respirator with the appropriate filter, and wear gloves and protective clothing to avoid skin contact. Always work in a well-ventilated area or fume hood to minimize inhalation of vapors. Keep the compound away from ignition sources and handle it according to the Material Safety Data Sheet (MSDS).