-
Name
4-(N-CYCLOHEXYLSULPHONAMIDO)BENZENEBORONIC ACID
- EINECS
- CAS No. 871329-66-7
- Density 1.32 g/cm3
- Solubility
- Melting Point 270-276 °C
- Formula C12H18BNO4S
- Boiling Point 484.5 °C at 760 mmHg
- Molecular Weight 283.156
- Flash Point 246.8 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
-
Hazard Symbols
Xi
- Synonyms Boronicacid, [4-[(cyclohexylamino)sulfonyl]phenyl]- (9CI);
- PSA 95.01000
- LogP 1.44910
Boronic acid,B-[4-[(cyclohexylamino)sulfonyl]phenyl]- Specification
The Boronic acid,B-[4-[(cyclohexylamino)sulfonyl]phenyl]- is an organic compound with the formula C12H18BNO4S. The systematic name of this chemical is [4-(cyclohexylsulfamoyl)phenyl]boronic acid. With the CAS registry number 871329-66-7, it is also named as 4-(N-Cyclohexylsulphonamido)benzeneboronic acid. The product's categories are Blocks; BoronicAcids; Sulfonamides.
Physical properties about Boronic acid,B-[4-[(cyclohexylamino)sulfonyl]phenyl]- are: (1)ACD/LogP: 2.40; (2)ACD/LogD (pH 5.5): 2.4; (3)ACD/LogD (pH 7.4): 2.3; (4)#H bond acceptors: 5; (5)#H bond donors: 3; (6)#Freely Rotating Bonds: 5; (7)Polar Surface Area: 95.01 Å2; (8)Index of Refraction: 1.581; (9)Molar Refractivity: 71.47 cm3; (10)Molar Volume: 214.3 cm3; (11)Polarizability: 28.33×10-24cm3; (12)Surface Tension: 56.1 dyne/cm; (13)Density: 1.32 g/cm3; (14)Flash Point: 246.8 °C; (15)Enthalpy of Vaporization: 78.98 kJ/mol; (16)Boiling Point: 484.5 °C at 760 mmHg; (17)Vapour Pressure: 3.36E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccc(cc1)S(=O)(=O)NC2CCCCC2)(O)O
(2)InChI: InChI=1/C12H18BNO4S/c15-13(16)10-6-8-12(9-7-10)19(17,18)14-11-4-2-1-3-5-11/h6-9,11,14-16H,1-5H2
(3)InChIKey: XYWYVMPPDKSUFJ-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C12H18BNO4S/c15-13(16)10-6-8-12(9-7-10)19(17,18)14-11-4-2-1-3-5-11/h6-9,11,14-16H,1-5H2
(5)Std. InChIKey: XYWYVMPPDKSUFJ-UHFFFAOYSA-N
Related Products
- Boronic acid, B-(2,6-diethoxy-3-pyridinyl)-
- Boronic acid, B-(2,6-difluoro-3-pyridinyl)-, hydrate (1:1)
- Boronic acid, B-(2,6-difluoro-4-methoxyphenyl)-
- Boronic acid, B-[1-(phenylsulfonyl)-1H-indol-2-yl]-
- Boronic acid, B-[1-(phenylsulfonyl)-1H-indol-3-yl]-
- Boronic acid, B-[2-(1-pyrrolidinylsulfonyl)phenyl]-
- Boronic acid, B-[4-[(cyclohexylamino)carbonyl]-3-fluorophenyl]-
- Boronic acid, B-[4-[(cyclohexylmethylamino)carbonyl]phenyl]-
- Boronic acid,(1-methyl-4-piperidinyl)- (9CI)
- Boronic acid,(2,4,5-trichlorophenyl)- (9CI)
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- 871329-71-4
- 871329-73-6
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- 871329-78-1
- 871329-80-5
- 871329-81-6
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