CAS No.693803-17-7,3-(3-BORONOPHENYL)PROPIONIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	693803-17-7
Name:	3-(3-BORONOPHENYL)PROPIONIC ACID
Article Data:	2

Formula:	C₉H₁₁BO₄
Molecular Weight:	193.995
Synonyms:	[3-(2-Carboxyethyl)phenyl]boronic acid;
Density:	1.28 g/cm³
Melting Point:	166-169°C
Boiling Point:	435.1 °C at 760 mmHg
Flash Point:	216.9 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38-36-22
Safety:	26-36/37/39
PSA:	77.76000
LogP:	-0.61640

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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