Pentaborane
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Product Description
Product
Pentaborane
CAS
19624-22-7
Formula
B5H9
Synonym
Pentaborane; pentaborane(9); UN 1380; (2,3-Muh),(2,5-muh),(3,4-muh),(4,5-muh)-nido-pentaborane(9); 2,3:2,5:3,4:4,5-Tetra-muh-nido-pentaborane(9); B5H9; Chebi:33591; Nido-pentaborane(9)
Typical Product Specifications
Molecular weight
63.13
EINECS
243-194-4
InChI
1S/B5H9/c6-1-5-2(6)8-4(5)9-3(5)7-1/h1-5H
InChIKey
USBVLEBZPMQADS-UHFFFAOYSA-N
Molecular weight
323.30
EINECS
218-276-8
SMILES
c1([P@@](Oc2ccc([N+](=O)[O-])cc2)(OCC)=S)ccccc1
InChI
1S/C14H14NO4PS/c1-2-18-20(21,14-6-4-3-5-7-14)19-13-10-8-12(9-11-13)15(16)17/h3-11H,2H2,1H3
InChIKey
AIGRXSNSLVJMEA-UHFFFAOYSA-N
Water solubility
3.11 mg/L
Melting Point
36 ° C
Henry's Law Constant
4.44E-07 atm-m3/mole
Atmospheric OH Rate Constant
7.47E-11 cm3/molecule-sec
log P (octanol-water)
4.78
Vapor Pressure
9.50E-07 mm Hg
Chemical Structure
Class
Pentaborane
Product Description
Product
Pentaborane
CAS
19624-22-7
Formula
B5H9
Synonym
Pentaborane; pentaborane(9); UN 1380; (2,3-Muh),(2,5-muh),(3,4-muh),(4,5-muh)-nido-pentaborane(9); 2,3:2,5:3,4:4,5-Tetra-muh-nido-pentaborane(9); B5H9; Chebi:33591; Nido-pentaborane(9)
Typical Product Specifications
Molecular weight
63.13
EINECS
243-194-4
InChI
1S/B5H9/c6-1-5-2(6)8-4(5)9-3(5)7-1/h1-5H
InChIKey
USBVLEBZPMQADS-UHFFFAOYSA-N
Molecular weight
323.30
EINECS
218-276-8
SMILES
c1([P@@](Oc2ccc([N+](=O)[O-])cc2)(OCC)=S)ccccc1
InChI
1S/C14H14NO4PS/c1-2-18-20(21,14-6-4-3-5-7-14)19-13-10-8-12(9-11-13)15(16)17/h3-11H,2H2,1H3
InChIKey
AIGRXSNSLVJMEA-UHFFFAOYSA-N
Water solubility
3.11 mg/L
Melting Point
36 ° C
Henry's Law Constant
4.44E-07 atm-m3/mole
Atmospheric OH Rate Constant
7.47E-11 cm3/molecule-sec
log P (octanol-water)
4.78
Vapor Pressure
9.50E-07 mm Hg
Chemical Structure
Class
