Triisopropanolamine cyclic borate CAS#: 101-00-8; ChemWhat Code: 61701
Identification
| Product Name | Triisopropanolamine cyclic borate |
| IUPAC Name | 3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane |
| Molecular Structure |  |
| CAS Registry Number | 101-00-8 |
| MDL Number | MFCD03791298 |
| Synonyms | 101-00-8 Triisopropanolamine cyclic borate 3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane Triisopropanolamine borate Borester 21 BORIC ACID, TRIS(1-AMINO-2-PROPYL) ESTER 2,8,9-Trioxa-5-aza-1-borabicyclo[3.3.3]undecane, 3,7,10-trimethyl- NSC15099 Triisopropanolamine cyclic borate;Borester 21; NSC 15099 2,8,9-Trioxa-5-aza-1-borabicyclo(3.3.3)undecane, 3,7,10-trimethyl- NSC 15099 AI3-61110 2-Propanol, 1,1′,1”-nitrilotri-, cyclic borate MFCD03791298 2-Propanol, 1,1′,1”-nitrilotri-, borate DTXSID50905879 3,7,10-trimethyl-4,6,11-trioxa-1-aza-5-borabicyclo[3.3.3]undecane NSC-15099 WLN: Z1Y1&OBOY1Z1&OY1Z1 AKOS006229267 2-Propanol, 1,1′,1”-nitrilotri-, cyclic ester with boric acid (H3BO3) (1:1) 2-Propanol, 1,1′,1”-nitrilotri-, cyclic ester with boric acid (H3BO3) (1:1) (VAN) AS-72042 DB-058548 CS-0015223 NS00015503 T2943 2-Propanol,1′,1”-nitrilotri-, cyclic borate D92646 A897267 J-200318 2,9-Trioxa-5-aza-1-borabicyclo[3.3.3]undecane, 3,7,10-trimethyl- 2-Propanol,1′,1”-nitrilotri-, cyclic ester with boric acid (H3BO3) (1:1) |
| Molecular Formula | C9H18BNO3 |
| Molecular Weight | 199.06 |
| 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 |
| InChI Key | IWKGJTDSJPLUCE-UHFFFAOYSA-N |
| Isomeric SMILES | B12OC(CN(CC(O1)C)CC(O2)C)C |
Physical Data
| Appearance | White yellowish or light yellow powder |
| Melting Point, °C | Solvent (Melting Point) |
| 151 | |
| 154 – 156 | benzene |
| 154 | benzene |
| 144 – 147 | benzene |
| 155.6 – 157.6 | benzene |
| 153 – 156 | benzene |
| Boiling Point, °C | Pressure (Boiling Point), Torr |
| 135 | 0.2 |
Spectra
| Description (IR Spectroscopy) | Solvent (IR Spectroscopy) |
| Bands | CHCl3 |
| IR |
Route of Synthesis (ROS)
| Conditions | Yield |
| With boric acid; toluene unter Entfernen des entstehenden Wassers; | |
| With boric acid In i-Amyl alcohol |
Safety and Hazards
| Pictogram(s) |  |
| Signal | Warning |
| GHS Hazard Statements | H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
| Precautionary Statement Codes | P264+P265, P280, P305+P351+P338, and P337+P317 (The corresponding statement to each P-code can be found at the GHS Classification page.) |
Source: European Chemicals Agency (ECHA)
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License URL: https://echa.europa.eu/web/guest/legal-notice
Record Name: (1-Cyano-2-ethoxy-2-oxoethylidenaminooxy)dimethylamino-morpholino-carbenium hexafluorophosphate
URL: https://echa.europa.eu/information-on-chemicals/cl-inventory-database/-/discli/details/213446
Description: The information provided here is aggregated from the “Notified classification and labelling” from ECHA’s C&L Inventory. Read more: https://echa.europa.eu/information-on-chemicals/cl-inventory-database
Other Data
| Transportation | Under room temperature away from light. |
| Storage | Under room temperature away from light. |
| Shelf Life | 2 years |
| Market Price |
| Druglikeness | |
| Lipinski rules component | |
| Molecular Weight | 199.058 |
| logP | 0.969 |
| HBA | 4 |
| HBD | 0 |
| Matching Lipinski Rules | 4 |
| Veber rules component | |
| Polar Surface Area (PSA) | 30.93 |
| Rotatable Bond (RotB) | 0 |
| Matching Veber Rules | 2 |
| Use Pattern |
| Triisopropanolamine cyclic borate CAS#: 101-00-8 is primarily used as a flame retardant additive, particularly in polymers and plastics, to enhance their fire resistance. It is also employed as a lubricant additive to improve lubrication performance in industrial applications. Additionally, it can serve as a catalyst or coordinating agent in certain chemical reactions and may be utilized in metalworking fluids to enhance machining quality and corrosion resistance of metals. |
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Approved Manufacturers | |
| Caming Pharmaceutical Limited | http://www.caming.com/ |
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