Tris (2-Cyanoethyl) Borate

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CAS Number

126755-67-7

Synonyms

Tris (2-cyanoethyl) borate

Purity

98%

Smiles

B(OCCC#N)(OCCC#N)OCCC#N

Chemical Information

Tris(2-cyanoethyl) Borate

CAS Number	126755-67-7
PubChem CID	90362390
IUPAC Name	tris(2-cyanoethyl) borate
Molecular Formula	C9H12BN3O3
Molecular Weight	221.02
Topological Polar Surface Area	99.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Heavy Atom Count	16
Formal Charge	0
Complexity	268

SMILES

B(OCCC#N)(OCCC#N)OCCC#N

InChI

InChI=1S/C9H12BN3O3/c11-4-1-7-14-10(15-8-2-5-12)16-9-3-6-13/h1-3,7-9H2

InChIKey

QRJXIXWHPANYDU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 126755-67-7

CID: 90362390

Formula: C9H12BN3O3

MW: 221.02

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	221.02
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Exact Mass	221.0971714
Monoisotopic Mass	221.0971714
Topological Polar Surface Area	99.1 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	268
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1000018-01	Tris (2-cyanoethyl) phosphine
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PC450157-01	Tris (2,2-difluoroethyl) borate
OR3339-01	Tris (isopropyl) borate
OR1038139-01	Tris (trimethylsilyl) borate
BUP06551-01	Tris (2,2,2-trifluoroethyl) borate
PC6808-01	Tris (2,2,2-trifluoroethyl) borate
PC3486-01	Tris (2H-hexafluoroisopropyl) borate
OR1077929	Tris (4-chlorophenyl) Borate
PC450192-01	Tris (3-fluoropropyl) borate

Catalog	Name
BUFDRYB1926A	Tris-Borate Buffer: 89 mM Tris-Borate, 2 mM EDTA
B8211-10	tris(2,2,2-trifluoroethyl) borate
T2186-01	Tris (2,2,2-trifluoroethyl) borate
MBS3605506-01	Tris (2, 2, 2-trifluoroethyl) borate
MBS575802	Tris(2, 2, 2-trifluoroethyl) borate
JH250940	Tris[2-[2- (2-methoxyethoxy) ethoxy]ethyl] borate
24086-500	Tris-Borate-EDTA Buffer (TBE Buffer), pH 8.3±0.2, 10X Concentrate
24087-10	Tris-Borate-EDTA Buffer (TBE Buffer) pH 8.3±0.2, 1X Powdered Blend
DD4905001	TBE buffer dry : 1 bag (89 mM TRIS 89 mM borate 1 mM EDTA pH 8.2-8.4) for 10 litres of formulation
EAA02353-01	Tris (2-cyanoethyl) phosphine