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Benzenepropanoic acid, 3-borono- (9CI)

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Name

Benzenepropanoic acid, 3-borono- (9CI)

EINECS N/A
CAS No. 693803-17-7 Density 1.28 g/cm3
PSA 77.76000 LogP -0.61640
Solubility N/A Melting Point 166-169°C
Formula C9H11BO4 Boiling Point 435.1 °C at 760 mmHg
Molecular Weight 193.995 Flash Point 216.9 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38-36-22
Molecular Structure Molecular Structure of 693803-17-7 (3-(3-BORONOPHENYL)PROPIONIC ACID) Hazard Symbols IrritantXi
Synonyms

[3-(2-Carboxyethyl)phenyl]boronic acid;

Article Data 2

Benzenepropanoic acid, 3-borono- (9CI) Specification

The Benzenepropanoic acid, 3-borono- (9Cl), with the CAS registry number 693803-17-7, is also known as 3-(3-Boronophenyl)propionic acid and 3-(2-Carboxyethyl)benzeneboronic acid. It belongs to the product category of Blocks. This chemical's molecular formula is C9H11BO4 and molecular weight is 193.99. What's more, its systematic name is 3-[3-(Dihydroxyboranyl)phenyl]propanoic acid.

Physical properties about Benzenepropanoic acid, 3-borono- (9Cl) are: (1)ACD/LogP: 1.21; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 44.76 Å2; (7)Index of Refraction: 1.56; (8)Molar Refractivity: 48.82 cm3; (9)Molar Volume: 150.8 cm3; (10)Polarizability: 19.35×10-24cm3; (11)Surface Tension: 55.8 dyne/cm; (12)Density: 1.28 g/cm3; (13)Flash Point: 216.9 °C; (14)Enthalpy of Vaporization: 72.86 kJ/mol; (15)Boiling Point: 435.1 °C at 760 mmHg; (16)Vapour Pressure: 2.44E-08 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And in case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)CCc1cccc(c1)B(O)O
(2) InChI: InChI=1/C9H11BO4/c11-9(12)5-4-7-2-1-3-8(6-7)10(13)14/h1-3,6,13-14H,4-5H2,(H,11,12)
(3) InChIKey: JJBQHOJBARDWRZ-UHFFFAOYAT

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