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CAS No.: | 19335-11-6 |
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Name: | 5-AMINOINDAZOLE |
Article Data: | 26 |
Molecular Structure: | |
Formula: | C7H7N3 |
Molecular Weight: | 133.153 |
Synonyms: | 1H-Indazole,5-amino- (6CI,7CI,8CI);1H-Indazol-5-ylamine;5-Amino-1H-indazole;5-Aminobenzopyrazole;5-Aminoindazole;NSC44676; |
EINECS: | 242-971-5 |
Density: | 1.367 g/cm3 |
Melting Point: | 175-178 °C |
Boiling Point: | 376.609 °C at 760 mmHg |
Flash Point: | 209.521 °C |
Appearance: | white to light yellow crystal powder |
Hazard Symbols: | T,Xn |
Risk Codes: | 25-36/37/38 |
Safety: | 26-36-45-37/39 |
Transport Information: | UN 2811 6.1/PG 3 |
PSA: | 54.70000 |
LogP: | 1.72630 |
The IUPAC name of 5-Indazolamine is 5-Indazolamine. With the CAS registry number 19335-11-6, it is also named as 5-Aminoindazole. The product's categories are Amines and Anilines; Heterocycles; Pharmacetical; Indazole; Building Blocks; Heterocyclic Building Blocks; Indazoles. Besides, it is white to light yellow crystal powder, which should be stored in a closed, dark, ventilated, dry place. In addition, its molecular formula is C7H7N3 and molecular weight is 133.15.
The other characteristics of 5-Indazolamine can be summarized as: (1)EINECS: 242-971-5; (2)ACD/LogP: 0.73; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 0.722; (5)ACD/LogD (pH 7.4): 0.729; (6)ACD/BCF (pH 5.5): 2.072; (7)ACD/BCF (pH 7.4): 2.11; (8)ACD/KOC (pH 5.5): 58.336; (9)ACD/KOC (pH 7.4): 59.382; (10)#H bond acceptors: 3; (11)#H bond donors: 3; (12)#Freely Rotating Bonds: 1; (13)Index of Refraction: 1.78; (14)Molar Refractivity: 40.856 cm3; (15)Molar Volume: 97.376 cm3; (16)Surface Tension: 79.421 dyne/cm; (17)Density: 1.367 g/cm3; (18)Flash Point: 209.521 °C; (19)Melting Point: 175-178 °C; (20)Water Solubility: 2.49E+04 mg/L at 25 °C; (21)Enthalpy of Vaporization: 62.427 kJ/mol; (22)Boiling Point: 376.609 °C at 760 mmHg; (23)Vapour Pressure: 0 mmHg at 25 °C.
Uses of 5-Indazolamine: it can react with Trichloroacetaldehyde hydrate to get 2-Hydroxyimino-N-(1H-indazol-5-yl)-acetamide.
This reaction needs conc. HCl, Hydroxylammoniumchloride, Na2SO4.10 H2O and H2O by heating for 2 min. The yield is 89 %.
When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. It is also toxic if swallowed. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing, gloves and eye/face protection. Moreover, in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
People can use the following data to convert to the molecule structure.
(1)SMILES: c1cc2cn[nH]c2cc1N
(2)InChI: InChI=1/C7H7N3/c8-6-2-1-5-4-9-10-7(5)3-6/h1-4H,8H2,(H,9,10)
(3)InChIKey: KEJFADGISRFLFO-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C7H7N3/c8-6-2-1-5-4-9-10-7(5)3-6/h1-4H,8H2,(H,9,10)
(5)Std. InChIKey: KEJFADGISRFLFO-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intravenous | 180mg/kg (180mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00915, | |
mouse | LD50 | oral | 200mg/kg (200mg/kg) | Chimica Therapeutica. Vol. 5, Pg. 24, 1970. |