CAS No.833472-82-5,METHYL 3-(3-BORONOPHENYL)PROPIONATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	833472-82-5
Name:	METHYL 3-(3-BORONOPHENYL)PROPIONATE

Formula:	C₁₀H₁₃BO₄
Molecular Weight:	208.022
Synonyms:	Benzenepropanoicacid, 3-borono-, a-methylester (9CI);3-(2-Methoxycarbonylethyl)benzeneboronic acid;[3-(2-Methoxycarbonylethyl)phenyl]boronicacid;
Density:	1.18 g/cm³
Melting Point:	96-100°C
Boiling Point:	371.4 °C at 760 mmHg
Flash Point:	178.4 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	66.76000
LogP:	-0.52800

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Specification

The Benzenepropanoic acid,3-borono-, 1-methyl ester, with the CAS registry number 833472-82-5, is also known as Methyl 3-(3-boronophenyl)propionate. It belongs to the product categories of Blocks; Boronic Acids; Carboxes. This chemical's molecular formula is C₁₀H₁₃BO₄ and molecular weight is 208.02. What's more, its systematic name is called [3-(3-Methoxy-3-oxopropyl)phenyl]boronic acid.

Physical properties about Benzenepropanoic acid,3-borono-, 1-methyl ester are: (1) ACD/LogP: 1.63; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 4; (4) #H bond donors: 2; (5) #Freely Rotating Bonds: 7; (6) Polar Surface Area: 44.76 Å²; (7) Index of Refraction: 1.522; (8) Molar Refractivity: 53.66 cm³; (9) Molar Volume: 175.9 cm³; (10) Surface Tension: 45 dyne/cm; (11) Density: 1.18 g/cm³; (12) Flash Point: 178.4 °C; (13) Enthalpy of Vaporization: 65.24 kJ/mol; (14) Boiling Point: 371.4 °C at 760 mmHg; (15) Vapour Pressure: 3.58E-06 mmHg at 25 °C; (16) Melting Point: 96-100 °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(OC)CCc1cccc(c1)B(O)O
(2) InChI: InChI=1/C10H13BO4/c1-15-10(12)6-5-8-3-2-4-9(7-8)11(13)14/h2-4,7,13-14H,5-6H2,1H3
(3) InChIKey: IPXZIWCEVNDHFD-UHFFFAOYAK