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Tributyl borate

CAT: 0286-T18495-01Size: 100 mLDry Ice: NoHazardous: No
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CAT#:0286-T18495-01Size:100 mL
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CAS Number
688-74-4
Synonyms
Boric acid tri-n-butyl ester; n-Butyl borate
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00009434
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Not D.O.T.-Regulated
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

Tributyl borate

Tributyl borate is a water-white liquid. (NTP, 1992)

CAS Number688-74-4
PubChem CID12712
IUPAC Nametributyl borate
Molecular FormulaC12H27BO3
Molecular Weight230.15
Topological Polar Surface Area27.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count12
Heavy Atom Count16
Formal Charge0
Complexity110
SMILES
B(OCCCC)(OCCCC)OCCCC
InChI
InChI=1S/C12H27BO3/c1-4-7-10-14-13(15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3
InChIKey
LGQXXHMEBUOXRP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tributyl borate
CAS: 688-74-4
CID: 12712
Formula: C12H27BO3
MW: 230.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight230.15
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count12
Exact Mass230.2053249
Monoisotopic Mass230.2053249
Topological Polar Surface Area27.7 Ų
Heavy Atom Count16
Formal Charge0
Complexity110
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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