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Boronicacid, B-[3-[(dimethylamino)carbonyl]-5-nitrophenyl]-

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Name

Boronicacid, B-[3-[(dimethylamino)carbonyl]-5-nitrophenyl]-

EINECS N/A
CAS No. 874219-44-0 Density 1.38 g/cm3
PSA 106.59000 LogP -0.50040
Solubility N/A Melting Point 160-162 °C
Formula C9H11BN2O5 Boiling Point 500.3 °C at 760 mmHg
Molecular Weight 238.01 Flash Point 256.4 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 874219-44-0 (3-(DIMETHYLCARBAMOYL)-5-NITROBENZENEBORONIC ACID) Hazard Symbols IrritantXi
Synonyms

Boronicacid, [3-[(dimethylamino)carbonyl]-5-nitrophenyl]- (9CI);

 

Boronicacid, B-[3-[(dimethylamino)carbonyl]-5-nitrophenyl]- Specification

The Boronicacid, B-[3-[(dimethylamino)carbonyl]-5-nitrophenyl]- is an organic compound with the formula C9H11BN2O5. The systematic name of this chemical is [3-(dimethylcarbamoyl)-5-nitro-phenyl]boronic acid. With the CAS registry number 874219-44-0, the product's categories are Blocks; BoronicAcids; Carboxes; NitroCompounds.

Physical properties about Boronicacid, B-[3-[(dimethylamino)carbonyl]-5-nitrophenyl]- are: (1)#H bond acceptors: 7; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 5; (4)Polar Surface Area: 106.59 Å2; (5)Index of Refraction: 1.581; (6)Molar Refractivity: 57.2 cm3; (7)Molar Volume: 171.5 cm3; (8)Polarizability: 22.67×10-24cm3; (9)Surface Tension: 60.6 dyne/cm; (10)Density: 1.38 g/cm3; (11)Flash Point: 256.4 °C; (12)Enthalpy of Vaporization: 80.97 kJ/mol; (13)Boiling Point: 500.3 °C at 760 mmHg; (14)Vapour Pressure: 7.88E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1cc(cc(c1)[N+](=O)[O-])C(=O)N(C)C)(O)O
(2)InChI: InChI=1/C9H11BN2O5/c1-11(2)9(13)6-3-7(10(14)15)5-8(4-6)12(16)17/h3-5,14-15H,1-2H3
(3)InChIKey: CMEDBCAYQJUDQF-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C9H11BN2O5/c1-11(2)9(13)6-3-7(10(14)15)5-8(4-6)12(16)17/h3-5,14-15H,1-2H3
(5)Std. InChIKey: CMEDBCAYQJUDQF-UHFFFAOYSA-N

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