Trihexyl Borate

CAT: 0127-OR1078758-02Size: 25 gDry Ice: NoHazardous: No

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CAT#:0127-OR1078758-02Size:25 g

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CAS Number

5337-36-0

Synonyms

Boric Acid Trihexyl Ester

MDL Number

MFCD00027295

Purity

>98.0%

Smiles

B (OCCCCCC) (OCCCCCC) OCCCCCC

Chemical Information

Trihexyl borate

CAS Number	5337-36-0
PubChem CID	21423
IUPAC Name	trihexyl borate
Molecular Formula	C18H39BO3
Molecular Weight	314.3
Topological Polar Surface Area	27.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	18
Heavy Atom Count	22
Formal Charge	0
Complexity	169

SMILES

B(OCCCCCC)(OCCCCCC)OCCCCCC

InChI

InChI=1S/C18H39BO3/c1-4-7-10-13-16-20-19(21-17-14-11-8-5-2)22-18-15-12-9-6-3/h4-18H2,1-3H3

InChIKey

KDQYHGMMZKMQAA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5337-36-0

CID: 21423

Formula: C18H39BO3

MW: 314.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	314.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	18
Exact Mass	314.2992253
Monoisotopic Mass	314.2992253
Topological Polar Surface Area	27.7 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	169
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
OR1078200	Tridecyl Borate
OR1015361-01	Triphenyl Borate
OR1030155-01	Trihexyl Phosphite
OR1041630	Trihexyl phosphate
OR1078611-01	Trihexyl O-Butyrylcitrate
OR1101505-01	Trihexyl (Tetradecyl) Phosphoniumdecanoate
OR1028889-01	Trihexyl (Tetradecyl) Phosphonium Chloride
OR1030668-01	Tributyl Borate
OR1028351-01	Triisobutyl Borate
OR1078324-01	Tripropyl Borate

Catalog	Name
sc-486025	Trihexyl Borate
sc-484866	Trihexyl Phosphite
T212409-01	Trihexyl phosphate
HDA46979	Butyryl trihexyl citrate
sc-229580	Trihexyl O-acetylcitrate
TRC-T794765-1G	Trihexyl Phosphate (>90%)
TRC-T935710-25G	Trihexyl O-Butyrylcitrate
IKA86454-01	Trihexyl (tetradecyl) phosphonium chloride
FT33651-01	Triethyl borate
582088	Decyl borate