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61-82-5

Basic Information
CAS No.: 61-82-5
Name: Triazol-3-amine
Article Data: 37
Molecular Structure:
Molecular Structure of 61-82-5 (Triazol-3-amine)
Formula: C2H4N4
Molecular Weight: 84.0806
Synonyms: Aminotriazole (plantregulator);Azaplant;Herbidal total;Weedazol;3-Amino-2H-1,2,4-triazole;3-Amino-1H-1,2,4-triazole;3-Amino-s-triazole;5-Amino-1,2,4-triazole;3-Aminotriazole;5-Amino-1H-1,2,4-triazole;2-Amino-1,3,4-triazole;2,3,5,6-Tetraazabicyclo[2.1.1]hex-1-ene;1H-1,2,4-Triazolamine;1H-1,2,4-Triazol-3-ylamine;1H-1,2,4-Triazole, 3-amino- (7CI);1H-1,2,4-Triazol-3-amine(9CI);
EINECS: 200-521-5
Density: 1.477 g/cm3
Melting Point: 150-153 °C(lit.)
Boiling Point: 347.243 °C at 760 mmHg
Flash Point: 190.729 °C
Solubility: 280 g/L (20 °C) in water
Appearance: white powder or crystals
Hazard Symbols: HarmfulXn,DangerousN
Risk Codes: 48/22-51/53-63-40
Safety: 13-36/37-61
Transport Information: UN 3077 9/PG 3
PSA: 56.73000
LogP: -0.42690
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Consensus Reports

NTP 10th Report on Carcinogens. IARC Cancer Review: Group 2B IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 (1987),p. 92.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Human Inadequate Evidence IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 41 (1986),p. 293.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 (1974),p. 31.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Sufficient Evidence IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 (1974),p. 31.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 41 (1986),p. 293.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . Reported in EPA TSCA Inventory. EPA Genetic Toxicology Program.

Standards and Recommendations

OSHA PEL: TWA 0.2 mg/m3
ACGIH TLV: TWA 0.2 mg/m3; Animal Carcinogen
DFG MAK: 0.2 mg/m3 (as total dust); Confirmed Animal Carcinogen with Unknown Relevance to Humans

Specification

The Triazol-3-amine, with the CAS registry number 61-82-5, is also known as Triazol-3-amine. It belongs to the product categories of Heterocycles; Organics; Estradiol, etc. (Environmental Endocrine Disruptors); Analytical Chemistry; Environmental Endocrine Disruptors; AM to AQ; A; Alphabetic; Agro-Products. Its EINECS registry number is 200-521-5. This chemical's molecular formula is C2H4N4 and molecular weight is 84.08. What's more, both its IUPAC name and systematic name are the same which is called 1H-1,2,4-Triazol-5-amine. It should be stored in a sealed place.

Physical properties about Triazol-3-amine are: (1)ACD/LogP: -0.677; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.72; (4)ACD/LogD (pH 7.4): -0.68; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 9.18; (8)ACD/KOC (pH 7.4): 10.19; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 67.59 Å2; (13)Index of Refraction: 1.67; (14)Molar Refractivity: 21.105 cm3; (15)Molar Volume: 56.484 cm3; (16)Polarizability: 8.367×10-24 cm3; (17)Surface Tension: 105.463 dyne/cm; (18)Density: 1.489 g/cm3; (19)Flash Point: 190.729 °C; (20)Enthalpy of Vaporization: 59.15 kJ/mol; (21)Boiling Point: 347.243 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

Preparation of Triazol-3-amine: this chemical can be prepared by Amino pill bicarbonate with methanoic acid.

Triazol-3-amine can be prepared by Amino pill bicarbonate with methanoic acid

Uses of Triazol-3-amine: (1) it is used as herbicide and pesticide analysis standard sample; (2) it is used to produce other chemicals. For example, it can react with 5-methyl-furan-2-carbaldehyde to get 5-Methyl-furfuryliden-(2)-3-amino-1,2,4-triazol. The reaction occurs with reagent ethanol and other condition of heating for 1 hour. The yield is 37 %.

Triazol-3-amine can react with 5-methyl-furan-2-carbaldehyde to get 5-Methyl-furfuryliden-(2)-3-amino-1,2,4-triazol.

When you are dealing with this chemical, you should be very careful. This chemical may cause damage to health and it may present an immediate or delayed danger to one or more components of the environment. It has serious damage to health by prolonged exposure if swallowed. In addition, this chemical is toxic to aquatic organisms and it may cause long-term adverse effects in the aquatic environment. Therefore, you should wear suitable protective clothing, gloves and keep away from food, drink and animal feeding stuffs. You must avoid releasing to the environment.

You can still convert the following datas into molecular structure:
(1) SMILES: n1cnnc1N
(2) InChI: InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)
(3) InChIKey: KLSJWNVTNUYHDU-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   National Technical Information Service. Vol. AD277-689,
mouse LD50 intravenous > 5gm/kg (5000mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 13, Pg. 597, 1977.
mouse LD50 oral 14700mg/kg (14700mg/kg)   Pesticide Chemicals Official Compendium, Association of the American Pesticide Control Officials, Inc., 1966. Vol. -, Pg. 33, 1966.
quail LD50 oral > 316mg/kg (316mg/kg)   Ecotoxicology and Environmental Safety. Vol. 6, Pg. 149, 1982.
rat LD50 oral 1100mg/kg (1100mg/kg)   Residue Reviews. Vol. 10, Pg. 97, 1965.
rat LD50 skin > 10gm/kg (10000mg/kg)   World Review of Pest Control. Vol. 9, Pg. 119, 1970.