(3,5-Dimethyl-1H-1,2,4-triazol-1-yl)acetic acid

Basic Information

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CAS Number

684249-99-8

Molecular Formula

C6H9N3O2

Molecular Weight

155.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Boiling Point

400.4°C at 760 mmHg

Density

1.36±0.1 g/cm3 (20 ºC 760 Torr)

SMILES

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CC1=NN(C(=N1)C)CC(=O)O

InChI

InChI=1S/C6H9N3O2/c1-4-7-5(2)9(8-4)3-6(10)11/h3H2,1-2H3,(H,10,11)

InChIKey

HUUAJCXSNXEPAE-UHFFFAOYSA-N

LogP

-0.020459999999999978

Topological Polar Surface Area

68.01 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

162

Safety Information

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Hazard Statement

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

F3230-0025
SCHEMBL3588529
(3,5-dimethyl-1H-1,2,4-triazol-1-yl)acetic acid
HUUAJCXSNXEPAE-UHFFFAOYSA-N
2-(DIMETHYL-1H-1,2,4-TRIAZOL-1-YL)ACETIC ACID
2-(3,5-Dimethyl-1H-1,2,4-Triazol-1-Yl)Acetic Acid
684249-99-8
CS-W006899
(3,5-Dimethyl-[1,2,4]triazol-1-yl)-acetic acid
A836146
MFCD05864548
AS-68032
DTXSID40424443
BB 0259617
2-(3,5-Dimethyl-1H-1,2,4-Triazol-1-Yl)AceticAcid
C76168
2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanoic acid
EN300-237838
AB22818
2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetic acid
AKOS000270488
FT-0694359
(3,5-Dimethyl-[1,2,4]triazol-1-yl)acetic acid
(3,5-DIMETHYL-[1,2,4]TRIAZOL-1-YL)-ACETIC ACID
2-(3,5-Dimethyl-1H-1,2,4-triazol-1-yl)acetic acid
(3,5-DIMETHYL-[1,2,4]TRIAZOL-1-YL)ACETIC ACID,
3,5-dimethyl-1H-1,2,4-Triazole-1-acetic acid
2-(3,5-dimethyl-1,2,4-triazolyl)acetic acid
BAS 10156811
SBB010363
STK500602

MDL Number

MFCD05864548

Customs Code

2933990090

FAQ

What regulatory guidelines apply to (3,5-Dimethyl-1H-1,2,4-triazol-1-yl)acetic acid (CAS: 684249-99-8)?

The regulation of (3,5-Dimethyl-1H-1,2,4-triazol-1-yl)acetic acid (CAS: 684249-99-8) includes adherence to GHS classification for hazardous chemicals, REACH regulations for registration, evaluation, authorization, and restriction of chemicals, as well as FDA/EPA requirements for safety and environmental protection. It is crucial to comply with local and international standards to ensure proper handling and use.

Are there alternatives to (3,5-Dimethyl-1H-1,2,4-triazol-1-yl)acetic acid in synthesis?

Alternatives to (3,5-Dimethyl-1H-1,2,4-triazol-1-yl)acetic acid include similar triazole derivatives and other carboxylic acids. For synthesis, substitutive reagents such as 5-aminotriazole or 1H-1,2,4-triazole can be used. These alternatives provide comparable reactivity and can be chosen based on specific reaction requirements and availability.

What is the market or research trend for (3,5-Dimethyl-1H-1,2,4-triazol-1-yl)acetic acid (CAS: 684249-99-8)?

The market trend for (3,5-Dimethyl-1H-1,2,4-triazol-1-yl)acetic acid (CAS: 684249-99-8) reflects growing interest in its applications in pharmaceuticals, agricultural chemicals, and research. Recent research focuses on its antimicrobial and antifungal properties, as well as its potential in drug development. Market trends indicate increasing demand for its use in innovative formulations and applications.

How should waste containing (3,5-Dimethyl-1H-1,2,4-triazol-1-yl)acetic acid (CAS: 684249-99-8) be handled?

Waste containing (3,5-Dimethyl-1H-1,2,4-triazol-1-yl)acetic acid (CAS: 684249-99-8) should be collected in appropriate containers and handled according to local and international regulations. It is recommended to incinerate the waste or use professional waste disposal services to ensure environmental safety. Proper precautions should be taken to prevent exposure and ensure the waste is disposed of in a manner that does not harm the environment.