Boronic acid,B-[4-[(4H-1,2,4-triazol-4-ylamino)carbonyl]phenyl]-, hydrochloride (1:1) supplier

Name
4-((4H-1,2,4-TRIAZOL-4-YL)CARBAMOYL)PHENYLBORONIC ACID, HCL
EINECS
CAS No. 850568-29-5
Density
Solubility
Melting Point 230-234 °C
Formula C₉H₁₀BClN₄O₃
Boiling Point 526.9 °C at 760 mmHg
Molecular Weight 268.46
Flash Point 272.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Boronicacid, [4-[(4H-1,2,4-triazol-4-ylamino)carbonyl]phenyl]-, monohydrochloride(9CI);[4-[[(4H-1,2,4-Triazol-4-yl)amino]carbonyl]phenyl]boronic acid hydrochloride;[4-(1,2,4-Triazol-4-ylcarbamoyl)phenyl]boronic acid hydrochloride;
PSA 100.27000
LogP -0.78320

Boronic acid,B-[4-[(4H-1,2,4-triazol-4-ylamino)carbonyl]phenyl]-, hydrochloride (1:1) Specification

The Boronic acid,B-[4-[(4H-1,2,4-triazol-4-ylamino)carbonyl]phenyl]-, hydrochloride (1:1), with the CAS registry number 850568-29-5, is also known as [4-[[(4H-1,2,4-Triazol-4-yl)amino]carbonyl]phenyl]boronic acid hydrochloride. It belongs to the product categories of Blocks; Boronic Acids. This chemical's molecular formula is C₉H₁₀BClN₄O₃ and molecular weight is 268.46. What's more, its systematic name is [4-(1,2,4-triazol-4-ylcarbamoyl)phenyl]boronic acid hydrochloride.

Physical properties of Boronic acid,B-[4-[(4H-1,2,4-triazol-4-ylamino)carbonyl]phenyl]-, hydrochloride (1:1) are: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 7; (3)#H bond donors: 3; (4)#Freely Rotating Bonds: 5; (5)Polar Surface Area: 100.27 Å²; (6)Flash Point: 272.4 °C; (7)Enthalpy of Vaporization: 84.35 kJ/mol; (8)Boiling Point: 526.9 °C at 760 mmHg; (9)Vapour Pressure: 6.27E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccc(cc1)C(=O)Nn2cnnc2)(O)O.Cl
(2)InChI: InChI=1S/C9H9BN4O3.ClH/c15-9(13-14-5-11-12-6-14)7-1-3-8(4-2-7)10(16)17;/h1-6,16-17H,(H,13,15);1H
(3)InChIKey: IXWODWOBVITHOD-UHFFFAOYSA-N

Product Name

4-((4H-1,2,4-TRIAZOL-4-YL)CARBAMOYL)PHENYLBORONIC ACID, HCL

Boronic acid,B-[4-[(4H-1,2,4-triazol-4-ylamino)carbonyl]phenyl]-, hydrochloride (1:1) Specification

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