3-(1H-Tetrazol-5-yl)aniline supplier

Name
5-(3-AMINOPHENYL)TETRAZOLE
EINECS
CAS No. 73732-51-1
Article Data14
CAS DataBase
Density 1.401 g/cm³
Solubility Soluble in water.
Melting Point 202-205 °C
Formula C₇H₇N₅
Boiling Point 440.5 °C at 760 mmHg
Molecular Weight 161.166
Flash Point 250.4 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Benzenamine,3-(1H-tetrazol-5-yl)- (9CI);Tetrazole, 5-(m-aminophenyl)- (6CI);3-(1H-Tetrazol-5-yl)aniline;3-(1H-Tetrazol-5-yl)phenylamine;3-(Tetrazol-5-yl)aniline;5-(3-Aminophenyl)tetrazole;5-(m-Aminophenyl)tetrazole;NSC 338110;
PSA 80.48000
LogP 1.03010

3-(1H-Tetrazol-5-yl)aniline Specification

This chemical is called Benzenamine,3-(2H-tetrazol-5-yl)-, and its IUPAC name is 3-(2H-tetrazol-5-yl)aniline. With the molecular formula of C₇H₇N₅, its molecular weight is 161.16. The CAS registry number of this chemical is 73732-51-1.

Other characteristics of the Benzenamine,3-(2H-tetrazol-5-yl)- can be summarised as followings: (1)ACD/LogP: 0.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.22; (4)ACD/LogD (pH 7.4): -1.26; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 7.09; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 46.84 Å²; (13)Index of Refraction: 1.686; (14)Molar Refractivity: 43.78 cm³; (15)Molar Volume: 114.9 cm³; (16)Polarizability: 17.35×10^-24cm³; (17)Surface Tension: 84.3 dyne/cm; (18)Density: 1.401 g/cm³; (19)Flash Point: 250.4 °C; (20)Enthalpy of Vaporization: 69.76 kJ/mol; (21)Boiling Point: 440.5 °C at 760 mmHg; (22)Vapour Pressure: 5.88E-08 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing when you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: n1nnnc1c2cc(ccc2)N
2.InChI: InChI=1/C7H7N5/c8-6-3-1-2-5(4-6)7-9-11-12-10-7/h1-4H,8H2,(H,9,10,11,12)
3.InChIKey: FLGISLVJQPPAMV-UHFFFAOYAF

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	intraperitoneal	2033mg/kg (2033mg/kg)	BEHAVIORAL: TREMOR BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: PLEURAL THICKENING	Kiso to Rinsho. Clinical Report. Vol. 23, Pg. 107, 1989.

Product Name

5-(3-AMINOPHENYL)TETRAZOLE

3-(1H-Tetrazol-5-yl)aniline Specification

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