2H-Tetrazole,5-(3-bromo-4-methoxyphenyl)- supplier

Name
5-(3-BROMO-4-METHOXY-PHENYL)-2H-TETRAZOLE
EINECS
CAS No. 191602-76-3
Article Data8
CAS DataBase
Density 1.668 g/cm³
Solubility
Melting Point
Formula C₈H₇BrN₄O
Boiling Point 413.8 °C at 760 mmHg
Molecular Weight 255.074
Flash Point 204.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-(3-BROMO-4-METHOXY-PHENYL)-2H-TETRAZOLE
PSA 63.69000
LogP 1.63780

2H-Tetrazole,5-(3-bromo-4-methoxyphenyl)- Specification

The 2H-Tetrazole,5-(3-bromo-4-methoxyphenyl)- has CAS registry number of 191602-76-3. Its molecular formula is C₈H₇BrN₄O and molecular weight is 255.07. What's more, its IUPAC name is 5-(3-Bromo-4-methoxyphenyl)-2H-tetrazole.

Physical properties about the 2H-Tetrazole,5-(3-bromo-4-methoxyphenyl)- are: (1)ACD/LogP: 2.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.3; (4)ACD/LogD (pH 7.4): 0.6; (5)ACD/BCF (pH 5.5): 2.84; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 31.83; (8)ACD/KOC (pH 7.4): 6.37; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 63.69 Å²; (13)Index of Refraction: 1.623; (14)Molar Refractivity: 53.92 cm³; (15)Molar Volume: 152.8 cm³; (16)Surface Tension: 62.4 dyne/cm; (17)Density: 1.668 g/cm³; (18)Flash Point: 204.1 °C; (19)Enthalpy of Vaporization: 66.67 kJ/mol; (20)Boiling Point: 413.8 °C at 760 mmHg; (21)Vapour Pressure: 4.66E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: COc1ccc(cc1Br)c2nnnn2
(2) InChI: InChI=1/C8H7BrN4O/c1-14-7-3-2-5(4-6(7)9)8-10-12-13-11-8/h2-4H,1H3,(H,10,11,12,13)
(3) InChIKey: VKMQSSCIJPVXSH-UHFFFAOYAH

Product Name

5-(3-BROMO-4-METHOXY-PHENYL)-2H-TETRAZOLE

2H-Tetrazole,5-(3-bromo-4-methoxyphenyl)- Specification

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