Trimethylboroxine
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기본 정보
- CAS
823-96-1- 표준 SMILES
CB1OB(C)OB(C)O1- InChIKey
GBBSAMQTQCPOBF-UHFFFAOYSA-N- 분자식
- C3H9B3O3
- 평균 분자량
- 125.5 g/mol
- 단동위원소 질량
- 126.08308535
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 물성보충 중
- 극성 표면적
- 27.7 Ų
- 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
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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
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℃.
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