3,7,10-Trimethyl-2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane

Basic Information

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CAS Number

101-00-8

Molecular Formula

C9H18BNO3

Molecular Weight

199.06 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

153.0 to 157.0 deg-C

Boiling Point

135°C/0.2mmHg

Density

1.0500

Flash Point

196.2°Cat760mmHg

Refractive Index

1.462

SMILES

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B12OC(CN(CC(O1)C)CC(O2)C)C

InChI

InChI=1S/C9H18BNO3/c1-7-4-11-5-8(2)13-10(12-7)14-9(3)6-11/h7-9H,4-6H2,1-3H3

InChIKey

IWKGJTDSJPLUCE-UHFFFAOYSA-N

LogP

0.5157999999999996

Topological Polar Surface Area

30.930000000000003 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

171

Safety Information

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GHS Hazard Pictograms

H320

Hazard Statement

H320 Causes eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

2-Propanol, 1,1',1''-nitrilotri-, cyclic ester with boric acid (H3BO3) (1:1)
AI3-61110
NSC-15099
2-Propanol,1',1''-nitrilotri-, cyclic borate
NS00015503
Triisopropanolamine borate
BORIC ACID, TRIS(1-AMINO-2-PROPYL) ESTER
2-Propanol, 1,1',1''-nitrilotri-, cyclic borate
2,8,9-Trioxa-5-aza-1-borabicyclo(3.3.3)undecane, 3,7,10-trimethyl-
J-200318
2,8,9-Trioxa-5-aza-1-borabicyclo[3.3.3]undecane, 3,7,10-trimethyl-
3,7,10-trimethyl-4,6,11-trioxa-1-aza-5-borabicyclo[3.3.3]undecane
WLN: Z1Y1&OBOY1Z1&OY1Z1
2-Propanol,1',1''-nitrilotri-, cyclic ester with boric acid (H3BO3) (1:1)
CS-0015223
NSC 15099
AS-72042
Triisopropanolamine cyclic borate
101-00-8
Borester 21
NSC15099
2-Propanol, 1,1',1''-nitrilotri-, cyclic ester with boric acid (H3BO3) (1:1) (VAN)
FT-0645346
3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane
AKOS006229267
2,9-Trioxa-5-aza-1-borabicyclo[3.3.3]undecane, 3,7,10-trimethyl-
MFCD03791298
DTXSID50905879
2-Propanol, 1,1',1''-nitrilotri-, borate
Triisopropanolamine cyclic borate;Borester 21; NSC 15099
D92646

MDL Number

MFCD03791298

Customs Code

2934999090

FAQ

What is 3,7,10-Trimethyl-2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane (CAS: 101-00-8)?

3,7,10-Trimethyl-2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane, also known as 1-borabicyclo[3.3.3]undecane, is a cyclic boronated compound with the CAS number 101-00-8. It consists of a five-membered ring with boron, nitrogen, and oxygen atoms, along with methyl groups. This compound is characterized by its stability and unique chemical structure, which makes it useful in various applications.

What are the main uses of 3,7,10-Trimethyl-2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane (CAS: 101-00-8)?

3,7,10-Trimethyl-2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane has diverse applications in pharmaceuticals, where it can act as a precursor in the synthesis of other compounds. It is also used in organic synthesis, as a ligand in coordination chemistry, and in materials science for its unique electronic and structural properties.

Is 3,7,10-Trimethyl-2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane (CAS: 101-00-8) safe?

3,7,10-Trimethyl-2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane is generally considered safe for its intended uses, but precautions should be taken. Users should avoid inhalation and direct contact with skin and eyes. Protective equipment such as gloves and safety goggles should be used during handling. Storage in a cool, dry place away from direct sunlight is recommended to maintain its stability.

How should 3,7,10-Trimethyl-2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane (CAS: 101-00-8) be stored?

3,7,10-Trimethyl-2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane should be stored in a tightly sealed container in a cool, dry place away from direct sunlight and sources of ignition. The storage temperature should be maintained between 15°C and 25°C to ensure its stability. Avoid storing it near incompatible materials such as strong acids, oxidizers, or reducing agents.