ChemicalBook--->CAS DataBase List--->65312-61-0

65312-61-0

65312-61-0 Structure

65312-61-0 Structure
IdentificationBack Directory
[Name]

(4H)-1,2,4-triazol-3-amine
[CAS]

65312-61-0
[Synonyms]

(4H)-1,2,4-triazol-3-amine
[EINECS(EC#)]

265-695-7
[Molecular Formula]

C2H4N4
[MDL Number]

MFCD00053362
[MOL File]

65312-61-0.mol
[Molecular Weight]

84.08
Chemical PropertiesBack Directory
[Boiling point ]

347.2±25.0 °C(Predicted)
[density ]

1.488±0.06 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2–8 °C
[form ]

solid
[pka]

11.14±0.20(Predicted)
[InChI]

1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)
[InChIKey]

KLSJWNVTNUYHDU-UHFFFAOYSA-N
[SMILES]

Nc1nnc[nH]1
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Hazard InformationBack Directory
[Definition]

ChEBI: Amitrole is a member of the class of triazoles that is 1H-1,2,4-triazole substituted by an amino group at position 3. Used to control annual grasses and aquatic weeds (but not on food crops because it causes cancer in laboratory animals). Its use within the EU was banned from September 2017 on the grounds of potential groundwater contamination and risks to aquatic life; there have also been concerns about its endocrine-disrupting properties. It has a role as a herbicide, an EC 1.11.1.6 (catalase) inhibitor and a carotenoid biosynthesis inhibitor. It is an aromatic amine and a member of triazoles.
Spectrum DetailBack Directory
[Spectrum Detail]

(4H)-1,2,4-triazol-3-amine(65312-61-0)1HNMR
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