4,7-Dimethyl-1,3-benzothiazol-2-amine

Basic Information

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CAS Number

78584-08-4

Molecular Formula

C9H10N2S

Molecular Weight

178.26 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

Basic Physical Properties

Boiling Point

334.8°C at 760 mmHg

SMILES

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CC1=C2C(=C(C=C1)C)SC(=N2)N

InChI

InChI=1S/C9H10N2S/c1-5-3-4-6(2)8-7(5)11-9(10)12-8/h3-4H,1-2H3,(H2,10,11)

InChIKey

FHUBACQXVCSGNR-UHFFFAOYSA-N

LogP

2.4953399999999997

Topological Polar Surface Area

38.91 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

174

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

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

Synonyms & References

English

CHEMBL1730367
HMS2668O06
MFCD04971844
W11339
SCHEMBL106320
F1911-0027
4,7-Dimethyl-benzothiazol-2-ylamine
MLS000718554
BB 0243970
Z57727840
2-Benzothiazolamine,4,7-dimethyl-
4,7-Dimethylbenzo[d]thiazol-2-amine
AKOS000108243
EN300-12449
FS-2062
2-Amino-4,7-dimethylbenzothiazole
78584-08-4
(4,7-Dimethylbenzothiazol-2-yl)amine
4,7-dimethyl-1,3-benzothiazol-2-amine
DTXSID50365974
CS-0068073
A923549
SY122826
SMR000290822
2-AMINO-4,7-DIMETHYLBENZOTHIAZOLE
2-Benzothiazolamine,4,7-Dimethyl
4,7-DiMethyl-1,3-benzothiazol-2-aMine
4,7-dimethyl-1,3-benzothiazol-2-amine(SALTDATA: FREE)
4,7-Dimethyl-benzothiazol-2-ylamin
4,7-dimethylbenzothiazole-2-ylamine
2-Benzothiazolamine, 4,7-dimethyl-

MDL Number

MFCD04971844

Customs Code

2934200090

FAQ

What regulatory guidelines apply to 4,7-Dimethyl-1,3-benzothiazol-2-amine (CAS: 78584-08-4)?

4,7-Dimethyl-1,3-benzothiazol-2-amine (CAS: 78584-08-4) is subject to various regulatory guidelines. It is classified under GHS as a category 2 sensitiser. For synthesis and handling, companies must comply with REACH regulations, including reporting and registration of substances above a certain tonnage. Additionally, FDA and EPA guidelines must be followed for its use in the United States, particularly concerning environmental and health safety.

Are there alternatives to 4,7-Dimethyl-1,3-benzothiazol-2-amine (CAS: 78584-08-4) in synthesis?

While 4,7-Dimethyl-1,3-benzothiazol-2-amine (CAS: 78584-08-4) is a useful compound, there are alternatives such as 5-Methyl-1,3-benzothiazol-2-amine and 4-Methyl-1,3-benzothiazol-2-amine. These can serve as effective substitutes depending on the specific needs of the synthesis. Other common reagents like thiourea and benzothiazole can also be considered.

What is the market or research trend for 4,7-Dimethyl-1,3-benzothiazol-2-amine (CAS: 78584-08-4)?

The market for 4,7-Dimethyl-1,3-benzothiazol-2-amine (CAS: 78584-08-4) reflects growing interest in its use in the development of pharmaceuticals and as an intermediate in organic synthesis. Research trends are focused on its applications in drug synthesis, particularly in antimalarial and antifungal drug development. The compound is also being explored in the field of polymer science for its unique properties.

How should waste containing 4,7-Dimethyl-1,3-benzothiazol-2-amine (CAS: 78584-08-4) be handled?

Waste containing 4,7-Dimethyl-1,3-benzothiazol-2-amine (CAS: 78584-08-4) should be managed according to the guidelines of the local environmental protection authority. Collect waste liquids in appropriate containers and ensure proper labeling. For disposal, incineration is a common method, but professional waste disposal services should be utilized. Always follow safety precautions, such as wearing protective gear and ensuring adequate ventilation, to prevent environmental contamination and health risks.