Products Categories
CAS No.: | 162848-16-0 |
---|---|
Name: | 4-(1H-1,2,4-TRIAZOL-1-YL)BENZOIC ACID |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C9H7N3O2 |
Molecular Weight: | 189.173 |
Synonyms: | 4-(1H-1,2,4-Triazol-1-yl)benzoicacid;4-[1,2,4]Triazol-1-ylbenzoic acid; |
Density: | 1.39 g/cm3 |
Melting Point: | 318 °C |
Boiling Point: | 424.1 °C at 760 mmHg |
Flash Point: | 210.3 °C |
Appearance: | white crystal powder |
Hazard Symbols: | Xi |
Risk Codes: | Xi:Irritant; "> Xi:Irritant; |
PSA: | 68.01000 |
LogP: | 0.96550 |
What can I do for you?
Get Best Price
The Benzoic acid,4-(1H-1,2,4-triazol-1-yl)- is an organic compound with the formula C9H7N3O2. The IUPAC name of this chemical is 4-(1,2,4-Triazol-1-yl)benzoate. With the CAS registry number 162848-16-0, it is also named as 4-[1,2,4]Triazol-1-yl-benzoic acid. The product's categories are Acids and Derivatives; Heterocycles. Besides, its molecular weight is 189.17.
Physical properties about Benzoic acid,4-(1H-1,2,4-triazol-1-yl)- are: (1)ACD/LogP: 1.00; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1.53; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 57.01 Å2; (10)Index of Refraction: 1.673; (11)Molar Refractivity: 50.69 cm3; (12)Molar Volume: 135.2 cm3; (13)Polarizability: 20.09×10-24 cm3; (14)Surface Tension: 60.5 dyne/cm; (15)Density: 1.39 g/cm3; (16)Flash Point: 210.3 °C; (17)Enthalpy of Vaporization: 71.53 kJ/mol; (18)Boiling Point: 424.1 °C at 760 mmHg; (19)Vapour Pressure: 6E-08 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C9H7N3O2/c13-9(14)7-1-3-8(4-2-7)12-6-10-5-11-12/h1-6H,(H,13,14)
(2)InChIKey: FOMQQGKCPYKKHQ-UHFFFAOYAC
(3)Std. InChI: InChI=1S/C9H7N3O2/c13-9(14)7-1-3-8(4-2-7)12-6-10-5-11-12/h1-6H,(H,13,14)
(4)Std. InChIKey: FOMQQGKCPYKKHQ-UHFFFAOYSA-N