Trimethylboroxine (HCID 574072)

이름 및 식별자

우선 이름: Trimethylboroxine
IUPAC: 2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane
영어명: Trimethylboroxine
분자식: C3H9B3O3
분자량: 125.53

이름 및 동의어

Trimethylboroxine823-96-1TrimethylboroxinDTXSID90341570RefChem:899827DTXCID10292651617-330-12,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinanetrimethyl-1,3,5,2,4,6-trioxatriborinane2,4,6-trimethylboroxineMFCD00013354Trimethylboroxine 50% w/w soln. in THF

이름 더 보기

Trimethylcyclotriboroxane2,4,6-Trimethylboroxin2,4,6-TrMETHYLBOROXINtrimethylboroxin,TRIMEETHYLBOROXINEMethylboric anhydrideTrimethylcyclotriborane

C3H9B3O3Trimethylboroxin (50% Solution in THF)Boroxin, trimethyl-2,4,6-Trimethyl-1,3,5,2,4,6-trioxatriborinane; 2,4,6-Trimethylboroxine; Methaneboronic anhydrideMethaneboronic anhydridetrimethyboroxinetrimethyl boroxintrimethylboroxaine

데이터베이스 식별자

CAS: 823-96-1
PubChem CID: 574072
DTXSID: DTXSID90341570
EC Number: 617-330-1
Nikkaji: J375.125B

물성

구조 계산 물성

극성 표면적: 27.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 69.3

물리화학적 성질

녹는점: 38 °C · −38 °C(lit.)
끓는 점: 78 · 78-80 °C(lit.)
밀도: 0.898 g/mL · 0.898 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.362(lit.)
인화점: 16 °F · 16 °F
저장 조건: Flammables area
용해도: Chloroform (Sparingly), Dichloromethane (Slightly), THF (Soluble)
물리적 상태: 액체
색상: 무색~황색
수용성: 물과 섞이지 않습니다.
BRN: 1757008 · 1757008
InChI: 1S/C3H9B3O3/c1-4-7-5(2)9-6(3)8-4/h1-3H3
InChIKey: GBBSAMQTQCPOBF-UHFFFAOYSA-N
SMILES: Cb1ob(C)ob(C)o1

화학적 성질

colorless to yellow solution

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H225 (30.3%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P321, P332+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 152 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 2 (30.3%)

안전 데이터

wgk: 3
tsca: Yes
ridadr: UN 2924 3/PG 2
HS 번호: 29319090
risk_code: 11-34-41-37/38-19
hazard_code: F,C,Xi
safety_code: 9-16-26-33-36/37/39-45-46-37/39-3
포장분류: II
위험 등급: 3.1
F 고인화성물질: 2-10-21
Hazard Classifications: Flam. Liq. 2Skin Corr. 1B
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야

용도Trimethylboroxine is used as a derivatizing agent for GLC analysis. It is used in a diverse array of areas, including as a polymerization additive. It is also used in the preparation of CBS catalysts for asymmetric reductions.

제조 방법 · 1건

Trimethylboroxine is prepared by heating B(CH3)3 and B2O3 together in a sealed tube. The B2O3 powder is made by dehydrating H3BO3 under vacuum over P2O5 , at 220℃. The very hygro-scopic oxide is placed with strict exclusion of moisture in a 200-ml. thick-wall Pyrex tube provided with a ground joint, and a melting-point capillary is fastened to the tube just below the joint. The tube is connected to a vacuum pump and immersed in liquid nitrogen, and when a high vacuum has been established, a quantity of B(CH3)3 equivalent to 4.25 g. (0.061 mole) of B2O3 is condensed in the tube. The tube is sealed off, heated to 600℃ and kept at this temperature for six hours; in the process the contents turn into a clear, colorless liquid. When the tube has cooled down, the tip is broken under a nitrogen blanket and sealed to a tube leading to the vacuum pump. The tube is evacuated and the contents of the tube are transferred into a -78℃ trap. The crude product is purified by removing volatile contaminants at -45℃ and then distilling the product from a -10℃ trap into a receiver held at -78℃.