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Name
3-AMINO-5-NITROBENZENEBORONIC ACID PINACOL ESTER
- EINECS
- CAS No. 871329-51-0
- Density 1.2 g/cm3
- Solubility
- Melting Point
- Formula C12H17BN2O4
- Boiling Point 428.5 °C at 760 mmHg
- Molecular Weight 264.09
- Flash Point 213 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
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Hazard Symbols
Xi
- Synonyms (3-AMINO-5-NITROPHENYL)BORONIC ACID, PINACOL ESTER;3-AMINO-5-NITROBENZENEBORONIC ACID PINACOL ESTER;3-Amino-5-nitrobenzeneboronic acid pinacol ester 98%
- PSA 90.30000
- LogP 2.58060
Benzenamine,3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- Specification
The Benzenamine,3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- is an organic compound with the formula C12H17BN2O4. The systematic name of this chemical is 3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline. With the CAS registry number 871329-51-0, it is also named as 3-Amino-5-nitrobenzeneboronic acid pinacol ester. The product's categories are Blocks; BoronicAcids.
Physical properties about Benzenamine,3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- are: (1)#H bond acceptors: 6; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 90.3 Å2; (5)Index of Refraction: 1.54; (6)Molar Refractivity: 69.1 cm3; (7)Molar Volume: 220 cm3; (8)Polarizability: 27.39×10-24cm3; (9)Surface Tension: 44 dyne/cm; (10)Density: 1.2 g/cm3; (11)Flash Point: 213 °C; (12)Enthalpy of Vaporization: 68.37 kJ/mol; (13)Boiling Point: 428.5 °C at 760 mmHg; (14)Vapour Pressure: 1.51E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: B1(OC(C(O1)(C)C)(C)C)c2cc(cc(c2)[N+](=O)[O-])N
(2)InChI: InChI=1/C12H17BN2O4/c1-11(2)12(3,4)19-13(18-11)8-5-9(14)7-10(6-8)15(16)17/h5-7H,14H2,1-4H3
(3)InChIKey: KLYYWEHPIHBBHC-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C12H17BN2O4/c1-11(2)12(3,4)19-13(18-11)8-5-9(14)7-10(6-8)15(16)17/h5-7H,14H2,1-4H3
(5)Std. InChIKey: KLYYWEHPIHBBHC-UHFFFAOYSA-N
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