CAS No.73732-51-1,5-(3-AMINOPHENYL)TETRAZOLE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	73732-51-1
Name:	5-(3-AMINOPHENYL)TETRAZOLE
Article Data:	14

Formula:	C₇H₇N₅
Molecular Weight:	161.166
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;
Density:	1.401 g/cm³
Melting Point:	202-205 °C
Boiling Point:	440.5 °C at 760 mmHg
Flash Point:	250.4 °C
Solubility:	Soluble in water.
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	80.48000
LogP:	1.03010

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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.