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Boronic acid,B-(4-chloro-2-ethoxyphenyl)-

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Name

Boronic acid,B-(4-chloro-2-ethoxyphenyl)-

EINECS N/A
CAS No. 850568-80-8 Density 1.27 g/cm3
PSA 49.69000 LogP 0.41850
Solubility N/A Melting Point 154-158 °C
Formula C8H10BClO3 Boiling Point 354.7 °C at 760 mmHg
Molecular Weight 200.43 Flash Point 168.3 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 850568-80-8 ((4-CHLORO-2-ETHOXYPHENYL)BORONIC ACID) Hazard Symbols N/A
Synonyms

Boronicacid, (4-chloro-2-ethoxyphenyl)- (9CI);(4-Chloro-2-ethoxyphenyl)boronic acid;2-Ethoxy-4-chlorophenylboronic acid;

 

Boronic acid,B-(4-chloro-2-ethoxyphenyl)- Specification

The systematic name of Boronic acid,B-(4-chloro-2-ethoxyphenyl)- is (4-chloro-2-ethoxyphenyl)boronic acid. With the CAS registry number 850568-80-8, it is also named as 2-Ethoxy-4-chlorophenylboronic acid. The product's categories are Blocks; Boronic Acids. In addition, its molecular formula is C8H10BClO3 and its molecular weight is 200.43.

The other characteristics of Boronic acid,B-(4-chloro-2-ethoxyphenyl)- can be summarized as: (1)ACD/LogP: 2.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.86; (4)ACD/LogD (pH 7.4): 2.82; (5)ACD/BCF (pH 5.5): 88.18; (6)ACD/BCF (pH 7.4): 80.85; (7)ACD/KOC (pH 5.5): 858.92; (8)ACD/KOC (pH 7.4): 787.58; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 27.69 Å2; (13)Index of Refraction: 1.537; (14)Molar Refractivity: 49.11 cm3; (15)Molar Volume: 157.1 cm3; (16)Polarizability: 19.46×10-24cm3; (17)Surface Tension: 45.2 dyne/cm; (18)Density: 1.27 g/cm3; (19)Flash Point: 168.3 °C; (20)Melting Point: 154-158 °C; (21)Enthalpy of Vaporization: 63.29 kJ/mol; (22)Boiling Point: 354.7 °C at 760 mmHg; (23)Vapour Pressure: 1.21E-05 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing, gloves and eye/face protection. Moreover, in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)SMILES: Clc1cc(OCC)c(B(O)O)cc1
(2)InChI: InChI=1/C8H10BClO3/c1-2-13-8-5-6(10)3-4-7(8)9(11)12/h3-5,11-12H,2H2,1H3
(3)InChIKey: NIWJJDHZRLYASL-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C8H10BClO3/c1-2-13-8-5-6(10)3-4-7(8)9(11)12/h3-5,11-12H,2H2,1H3
(5)Std. InChIKey: NIWJJDHZRLYASL-UHFFFAOYSA-N

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