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

Name
3-(3-BORONOPHENYL)PROPIONIC ACID
EINECS
CAS No. 693803-17-7
Article Data2
CAS DataBase
Density 1.28 g/cm³
Solubility
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
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38-36-22
Molecular Structure
Hazard Symbols Xi
Synonyms [3-(2-Carboxyethyl)phenyl]boronic acid;
PSA 77.76000
LogP -0.61640

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

Product Name

3-(3-BORONOPHENYL)PROPIONIC ACID

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

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