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10238-27-4

Basic Information
CAS No.: 10238-27-4
Name: 2-NITROPHENYL-BETA-D-XYLOPYRANOSIDE
Article Data: 2
Molecular Structure:
Molecular Structure of 10238-27-4 (2-NITROPHENYL-BETA-D-XYLOPYRANOSIDE)
Formula: C11H13NO7
Molecular Weight: 271.227
Synonyms: 2-Nitrophenyl b-D-xylopyranoside;o-Nitrophenyl b-D-xylopyranoside;Xylopyranoside,o-nitrophenyl (7CI);Xylopyranoside, o-nitrophenyl, b-D- (8CI);
EINECS: 233-571-1
Density: 1.597 g/cm3
Melting Point: 170-172 °C
Boiling Point: 513.1 °C at 760 mmHg
Flash Point: 264.1 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 124.97000
LogP: -0.06420
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  • CAS No. 10238-27-4 (b-D-Xylopyranoside, 2-nitrophenyl )

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  • o-Nitrophenyl -β-D-xylopyranoside

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Specification

The β-D-Xylopyranoside, 2-nitrophenyl is an organic compound with the formula C11H13NO7. The systematic name of this chemical is 2-nitrophenyl β-D-xylopyranoside. With the CAS registry number 10238-27-4, it is also named as o-nitrophenyl β-D-xylopyranoside. The product's category is Substrates.

Physical properties about β-D-Xylopyranoside, 2-nitrophenyl are: (1)ACD/LogP: 0.38; (2)ACD/LogD (pH 5.5): 0.38; (3)ACD/LogD (pH 7.4): 0.38; (4)ACD/BCF (pH 5.5): 1.14; (5)ACD/BCF (pH 7.4): 1.14; (6)ACD/KOC (pH 5.5): 38.22; (7)ACD/KOC (pH 7.4): 38.21; (8)#H bond acceptors: 8; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 91.97 Å2; (12)Index of Refraction: 1.654; (13)Molar Refractivity: 62.27 cm3; (14)Molar Volume: 169.7 cm3; (15)Polarizability: 24.68×10-24cm3; (16)Surface Tension: 70.2 dyne/cm; (17)Density: 1.597 g/cm3; (18)Flash Point: 264.1 °C; (19)Enthalpy of Vaporization: 82.6 kJ/mol; (20)Boiling Point: 513.1 °C at 760 mmHg; (21)Vapour Pressure: 2.35E-11 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c2ccccc2O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O
(2)InChI: InChI=1/C11H13NO7/c13-7-5-18-11(10(15)9(7)14)19-8-4-2-1-3-6(8)12(16)17/h1-4,7,9-11,13-15H,5H2/t7-,9+,10-,11+/m1/s1
(3)InChIKey: YPQCLGUTGDQYNI-DQDDRIPDBB
(4)Std. InChI: InChI=1S/C11H13NO7/c13-7-5-18-11(10(15)9(7)14)19-8-4-2-1-3-6(8)12(16)17/h1-4,7,9-11,13-15H,5H2/t7-,9+,10-,11+/m1/s1
(5)Std. InChIKey: YPQCLGUTGDQYNI-DQDDRIPDSA-N