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603122-80-1

Basic Information
CAS No.: 603122-80-1
Name: Methyl 4-borono-3-chlorobenzoate
Molecular Structure:
Molecular Structure of 603122-80-1 (Methyl 4-borono-3-chlorobenzoate)
Formula: C8H8BClO4
Molecular Weight: 214.41
Synonyms: [2-Chloro-4-(methoxycarbonyl)phenyl]boronicacid;[2-Chloro-4-[(methyloxy)carbonyl]phenyl]boronic acid;
Density: 1.39 g/cm3
Melting Point: 140-142 °C
Boiling Point: 386.643 °C at 760 mmHg
Flash Point: 187.635 °C
Hazard Symbols: IrritantXi
PSA: 66.76000
LogP: -0.19360
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  • METHYL 4-BORONO-3-CHLOROBENZOATE

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    603122-80-1

    METHYL 4-BORONO-3-CHLOROBENZOATE

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    603122-80-1 Application:METHYL 4-BORONO-3-CHLOROBENZOATE

    PureChems is dedicated to bring high quality and cost effective chemical products and services to our clients. PureChems can provide high purity Natural Products, Research Chemical

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  • 2-Chloro-4-(methoxycarbonyl)phenylboronic acid

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    603122-80-1

    2-Chloro-4-(methoxycarbonyl)phenylboronic acid

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    We have two R&D center both in Suzhou and Nanjing. The R&D Center owns labs with 2500m1242 Production Base. And excellent staff, advanced equipments ,instruments, strict quality management system enhance our competitiveness.We are good at rare&hard t

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  • Methyl 4-borono-3-chlorobenzoate

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    603122-80-1

    Methyl 4-borono-3-chlorobenzoate

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    Prime Molecular Co., Ltd. is a high-tech enterprise providing comprehensive customer service for pharmaceutical companies at home and abroad in accordance with international standards. Two R&D centers and two production sites in China, all well-equip

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  • FT-0698669

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    603122-80-1

    FT-0698669

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    High Quality Best Price Storage:Store in dry, dark and ventilated place Application:Chemical Synthesis Intermediate

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Specification

The CAS register number of Methyl 4-borono-3-chlorobenzoate is 603122-80-1. It also can be called as Benzoic acid,4-borono-3-chloro-, 1-methyl ester and the systematic name about this chemical is [2-chloro-4-(methoxycarbonyl)phenyl]boronic acid. The molecular formula about this chemical is C8H8BClO4 and molecular weight is 214.41. It belongs to the following product categories, such as Blocks; BoronicAcids and so on.

Physical properties about Methyl 4-borono-3-chlorobenzoate are: (1)ACD/LogP: 1.97; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 28; (5)ACD/BCF (pH 7.4): 14; (6)ACD/KOC (pH 5.5): 380; (7)ACD/KOC (pH 7.4): 193; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 66.76Å2; (12)Index of Refraction: 1.551; (13)Molar Refractivity: 49.228 cm3; (14)Molar Volume: 154.242 cm3; (15)Polarizability: 19.516x10-24cm3; (16)Surface Tension: 51.256 dyne/cm; (17)Enthalpy of Vaporization: 67.041 kJ/mol; (18)Boiling Point: 386.643 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: OB(O)c1ccc(cc1Cl)C(=O)OC
(2)InChI: InChI=1/C8H8BClO4/c1-14-8(11)5-2-3-6(9(12)13)7(10)4-5/h2-4,12-13H,1H3
(3)InChIKey: ITEQHBSWRMYSRP-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C8H8BClO4/c1-14-8(11)5-2-3-6(9(12)13)7(10)4-5/h2-4,12-13H,1H3
(5)Std. InChIKey: ITEQHBSWRMYSRP-UHFFFAOYSA-N