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Substance Name: Isopropyl borate
RN: 5419-55-6
UNII: YWV817MXF3
InChIKey: NHDIQVFFNDKAQU-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C9-H21-B-O3

Molecular Weight

  • 188.073
 
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Names and Synonyms

Name of Substance

  • Isopropyl borate

Synonyms

  • 4-01-00-01488 (Beilstein Handbook Reference)
  • AI3-61082
  • Boric acid, triisopropyl ester
  • Boric acid, tris(1-methylethyl) ester
  • Boron isopropoxide
  • Boron triisopropoxide
  • BRN 1701469
  • EC 226-529-9
  • EINECS 226-529-9
  • Isopropyl borate
  • Isopropyl borate, ((C3H7O)3B)
  • NSC 9779
  • Triisopropoxy borane
  • Triisopropoxy boron
  • Triisopropoxyborane
  • Triisopropoxyboron
  • Triisopropyl borate
  • Triisopropyl orthoborate
  • Trisisopropoxyborane
  • UNII-YWV817MXF3

Systematic Names

  • Boric acid (H3BO3), triisopropyl ester (8CI)
  • Boric acid (H3BO3), tris(1-methylethyl) ester
  • Boric acid, tris(1-methylethyl) ester
  • Triisopropyl borate

Superlist Names

  • Boric acid, (H3BO3), triisopropyl ester
  • Boric acid, tris(1-methylethyl) ester
  • Triisopropyl borate
  • Triisopropyl borate [UN2616] [Flammable liquid]
  • UN2616

Registry Numbers

CAS Registry Number

  • 5419-55-6

FDA UNII

  • YWV817MXF3

System Generated Number

  • 0005419556

Structure Descriptors

InChI

1S/C9H21BO3/c1-7(2)11-10(12-8(3)4)13-9(5)6/h7-9H,1-6H3

InChIKey

NHDIQVFFNDKAQU-UHFFFAOYSA-N

Smiles

B(OC(C)C)(OC(C)C)OC(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 100mg/kg (100mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00382,
mouse LD50 oral 2500mg/kg (2500mg/kg)   "Boron, Metallo-Boron Compounds and Boranes," Adams, R.M., ed., New York, John Wiley & Sons, Inc., 1964Vol. -, Pg. 693, 1964.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 140 deg C   EXP
log P (octanol-water) 0.830 (none)   EST
Water Solubility 9880 mg/L 25 EST
Atmospheric OH Rate Constant 3.65E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.