-
Name
Methyl 4-borono-3-chlorobenzoate
- EINECS
- CAS No. 603122-80-1
- Density 1.39 g/cm3
- Solubility
- Melting Point 140-142 °C
- Formula C8H8BClO4
- Boiling Point 386.643 °C at 760 mmHg
- Molecular Weight 214.41
- Flash Point 187.635 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
-
Hazard Symbols
Xi
- Synonyms [2-Chloro-4-(methoxycarbonyl)phenyl]boronicacid;[2-Chloro-4-[(methyloxy)carbonyl]phenyl]boronic acid;
- PSA 66.76000
- LogP -0.19360
Methyl 4-borono-3-chlorobenzoate 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
Related Products
- Methyl 1-Benzyl-5-oxopyrrolidine-3-carboxylate
- Methyl (((methoxymethylphosphinothioyl)thio)acetyl)methylcarbamate
- Methyl (+)-(3R)-7-[4-(4-fluorophenyl)-6-isopropyl-2-(N-methyl-N-methanesulfonylamino)pyrimidin-5-yl]-3-hydroxy-5-oxo-(6E)-heptenoate
- Methyl (2-amino-5-methyl-1,3-thiazol-4-yl)acetate
- Methyl (2-chloromethyl)oxazole-4-carboxylate
- Methyl (2E)-3-(4-methylphenyl)propenoate
- Methyl (2E)-3-cyclohexylprop-2-enoate
- Methyl (2R)-2-[(tert-butoxycarbonyl)amino]-3-iodopropanoate
- Methyl (2R)-2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate
- Methyl (2R)-2-amino-2-cyclohexylethanoate hydrochloride
- 603122-82-3
- 603122-84-5
- 603-12-3
- 603139-12-4
- 603139-19-1
- 603143-27-7
- 603-15-6
- 60317-14-8
- 60317-40-0
- 60317-54-6
Hot Products
About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia
Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog
©2008 LookChem.com,License: ICP
NO.:Zhejiang16009103
complaints:service@lookchem.com Desktop View