4-Carboxynaphthalene-1-boronic acid supplier

Name
4-Carboxynaphthalene-1-boronic acid
EINECS
CAS No. 332398-57-9
Article Data2
CAS DataBase
Density 1.422 g/cm³
Solubility
Melting Point
Formula C₁₁H₉BO₄
Boiling Point 502.293 °C at 760 mmHg
Molecular Weight 216.00
Flash Point 257.578 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 4-(Dihydroxyboranyl)naphthalene-1-carboxylic acid;4-Borono-1-naphthoic acid, v4-Borononaphthalene-1-carboxylic acid;
PSA 77.76000
LogP 0.21780

4-Carboxynaphthalene-1-boronic acid Specification

The 4-Carboxynaphthalene-1-boronic acid, with the CAS registry number 332398-57-9, is also known as 4-Borono-1-naphthoic acid, 4-Borononaphthalene-1-carboxylic acid. It belongs to the product categories of Blocks; BoronicAcids. This chemical's molecular formula is C₁₁H₉BO₄ and molecular weight is 216.00. What's more, its systematic name is 4-(dihydroxyboranyl)naphthalene-1-carboxylic acid.

Physical properties of 4-Carboxynaphthalene-1-boronic acid are: (1)ACD/LogP: 1.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/BCF (pH 5.5): 1; (5)ACD/KOC (pH 5.5): 3; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 77.76 Å²; (11)Index of Refraction: 1.676; (12)Molar Refractivity: 57.122 cm³; (13)Molar Volume: 151.849 cm³; (14)Polarizability: 22.645×10^-24cm³; (15)Surface Tension: 68.638 dyne/cm; (16)Density: 1.422 g/cm³; (17)Flash Point: 257.578 °C; (18)Enthalpy of Vaporization: 81.22 kJ/mol; (19)Boiling Point: 502.293 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)c1ccc(B(O)O)c2ccccc12
(2)InChI: InChI=1S/C11H9BO4/c13-11(14)9-5-6-10(12(15)16)8-4-2-1-3-7(8)9/h1-6,15-16H,(H,13,14)
(3)InChIKey: SRYYKYNBMCQCAB-UHFFFAOYSA-N

Product Name

4-Carboxynaphthalene-1-boronic acid

4-Carboxynaphthalene-1-boronic acid Specification

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