Benzoic acid,4-(1H-1,2,4-triazol-1-yl)- supplier

Name
4-(1H-1,2,4-TRIAZOL-1-YL)BENZOIC ACID
EINECS
CAS No. 162848-16-0
Article Data6
CAS DataBase
Density 1.39 g/cm³
Solubility
Melting Point 318 °C
Formula C₉H₇N₃O₂
Boiling Point 424.1 °C at 760 mmHg
Molecular Weight 189.173
Flash Point 210.3 °C
Transport Information
Appearance white crystal powder
Safety
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi
Synonyms 4-(1H-1,2,4-Triazol-1-yl)benzoicacid;4-[1,2,4]Triazol-1-ylbenzoic acid;
PSA 68.01000
LogP 0.96550

Benzoic acid,4-(1H-1,2,4-triazol-1-yl)- Specification

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

Product Name

4-(1H-1,2,4-TRIAZOL-1-YL)BENZOIC ACID

Benzoic acid,4-(1H-1,2,4-triazol-1-yl)- Specification

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