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Trioctadecyl borate

Trioctadecyl borate structure

CAS No:
5337-41-7
Formula:
C54H111BO3
Chemical Name:
Trioctadecyl borate
Synonyms:
Boric acid,trioctadecyl ester;Boric acid (H3BO3),trioctadecyl ester;Octadecyl borate;Trioctadecyl borate;Borester 13;Tristearyl borate;Tris(octadecyloxy)boron;NSC 786
Categories:
Chemical Reagents > Organic Reagents

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Trioctadecyl borate Basic Attributes

Molecular Weight：

819.27

Exact Mass：

819.27

UNII：

482KAL84AF

NSC Number：

786

DSSTox ID：

DTXSID80201533

HScode：

2920909090

Characteristics

PSA：

27.69000

XLogP3：

28.55

Density：

0.9±0.1 g/cm3

Melting Point：

41-44 °C

Boiling Point：

339-343 °C @ Press: 0.4 Torr

Flash Point：

325.8±25.3 °C

Refractive Index：

1.455

Safety Information

RTECS Number：

ED5620000

Precautionary statement(s)：

P264, P280, P305+P351+P338, P33, P313

Hazard Statements：

H319

GHS Classification：

|Warning|H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P264, P280, P305+P351+P338, and P337+P313|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:819.3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:54
Exact Mass:818.8626276
Monoisotopic Mass:818.8626276
Topological Polar Surface Area:27.7
Heavy Atom Count:58
Complexity:599
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes