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161344-85-0

Basic Information
CAS No.: 161344-85-0
Name: 2-BUTYL-[1,3,2]DIOXABOROLANE-4,5-DICARBOXYLIC ACID BIS-DIMETHYLAMIDE
Molecular Structure:
Molecular Structure of 161344-85-0 (2-BUTYL-[1,3,2]DIOXABOROLANE-4,5-DICARBOXYLIC ACID BIS-DIMETHYLAMIDE)
Formula: C12H23BN2O4
Molecular Weight: 270.13
Synonyms: 1,3,2-Dioxaborolane-4,5-dicarboxamide,2-butyl-N,N,N',N'-tetramethyl-, (4R,5R)- (9CI);1,3,2-Dioxaborolane-4,5-dicarboxamide, 2-butyl-N,N,N',N'-tetramethyl-,(4R-trans)-;2-Butyl-[1,3,2]dioxaborolane-4,5-dicarboxylic acid bis-dimethylamide;
Density: 1.077 g/cm3
Boiling Point: 406.595 °C at 760 mmHg
Flash Point: 199.702 °C
Hazard Symbols: IrritantXi
Risk Codes:  Xi:Irritant;
">  Xi:Irritant;
Safety: 23-24/25
PSA: 59.08000
LogP: 0.23510
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    (4R,5R)-2-Butyl-N,N,N',N'-tetramethyl-1,3,2-dioxaborolane-4,5-dicarboxamide 161344-85-0

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Chemistry

Systematic Name: (4R,5R)-2-Butyl-N,N,N',N'-tetramethyl-1,3,2-dioxaborolane-4,5-dicarboxamide
Synonyms of 1,3,2-Dioxaborolane-4,5-dicarboxamide,2-butyl-N4,N4,N5,N5-tetramethyl-, (4R,5R)- (CAS NO.161344-85-0): (4R,5R)-2-Butyl-N,N,N',N'-tetramethyl-1,3,2-dioxaborolane-4,5-dicarboxamide
CAS NO: 161344-85-0
Molecular Formula: C12H23BN2O4
Molecular Weight: 270.13
Molecular Structure:
H bond acceptors: 6
H bond donors: 0
Freely Rotating Bonds: 5
Polar Surface Area: 59.08 Å2
Index of Refraction: 1.473
Molar Refractivity: 70.46 cm3
Molar Volume: 250.8 cm3 
Surface Tension: 36 dyne/cm
Density: 1.07 g/cm3
Flash Point: 199.7 °C
Enthalpy of Vaporization: 65.84 kJ/mol
Boiling Point: 406.6 °C at 760 mmHg
Vapour Pressure: 8.04E-07 mmHg at 25°C
SMILES: O=C(N(C)C)[C@@H]1OB(O[C@H]1C(=O)N(C)C)CCCC
InChI: InChI=1/C12H23BN2O4/c1-6-7-8-13-18-9(11(16)14(2)3)10(19-13)12(17)15(4)5/h9-10H,6-8H2,1-5H3/t9-,10-/m1/s1
InChIKey: AFQWQRBBIZKYTE-NXEZZACHBH
Std. InChI: InChI=1S/C12H23BN2O4/c1-6-7-8-13-18-9(11(16)14(2)3)10(19-13)12(17)15(4)5/h9-10H,6-8H2,1-5H3/t9-,10-/m1/s1
Std. InChIKey: AFQWQRBBIZKYTE-NXEZZACHSA-N
Product Categories: Heterocyclic Compounds

Safety Profile

Hazard Codes: IrritantXi
Safety Statements: 23-24/25
S23: Do not breathe vapour. 
S24/25: When 1,3,2-Dioxaborolane-4,5-dicarboxamide,2-butyl-N4,N4,N5,N5-tetramethyl-, (4R,5R)- (CAS NO.161344-85-0) is used,avoid contact with skin and eyes.
WGK Germany: 3
Hazard Note: Irritant