기본 정보
- CAS
14044-65-6- 표준 SMILES
C1CCOC1.[B]- InChIKey
UWTDFICHZKXYAC-UHFFFAOYSA-N- 분자식
- C4H8BO
- 평균 분자량
- 82.92 g/mol
이름 및 식별자
- 우선 이름
- Borane-tetrahydrofuran
- 영어명
- Borane-tetrahydrofuran complex
- 분자식
- C4H11BO
- 분자량
- 85.94
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
14044-65-6- PubChem CID
- 11062302
- UNII
- 5EAR4ERR1L
- EC Number
- 237-881-8
물성
구조 계산 물성
- 극성 표면적
- 9.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 6
- 형식 전하
- 0
- 복잡도
- 22.8
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- -17 °C · -17 °C
- 끓는 점
- 35 °C · 35 °C
- 밀도
- 0.898 g/mL · 0.898 g/mL at 25 °C
- 인화점
- 1 °F · 1 °F
- 저장 조건
- 20 °C · Store at <= 20°C.
- 물리적 상태
- 액체
- 색상
- 무색의
- 폭발한계
- 1.58 · 1.58-12.42% (v/v)
- 수용성
- 물과 반응
- BRN
- 3668402 · 3668402
- 안정성
- 안정적이지만 공기와 접촉하면 폭발성 과산화물을 형성할 수 있습니다. 산, 산 염화물, 산 무수물, 산화제, 알코올과 호환되지 않습니다. 물과 격렬하게 반응함. 가연성이 높습니다. 불활성 가스하에 보관하십시오.
- InChI
- 1S/C4H8O.BH3/c1-2-4-5-3-1;/h1-4H2;1H3
- InChIKey
- RMCYTHFAWCWRFA-UHFFFAOYSA-N
- SMILES
- B.C1CCOC1
- EPA
- Boron, trihydro(tetrahydrofuran)-, (T-4)- (14044-65-6)
화학적 성질
colourless liquid
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 5.9% (11 of 188) of reports.
Danger
H225 (94.1%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P223, P231+P232, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P335+P334, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P402+P404, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 188 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Status: Active Update: 27-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/12062
Boron, trihydro(tetrahydrofuran)-, (T-4)-: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Reacts violently with water; [Merck Index] 10% Solution in tetrahydrofuran (CAS# 109-99-9): Reacts violently with water evolving extremely flammable gases; May form explosive peroxides; An irritant that may cause serious eye injury; Harmful by ingestion; [Alfa Aesar MSDS] See Borane.
CSL Reaction Information
CSL00083
BORANE-TETRAHYDROFURAN COMPLEX
temperatures over 40C may lead to a self-sustaining exothermic reaction—if temperature reaches 60C, a violent decomposition reaction may occur
Explosive
User-Reported
7/8/18
안전 및 보호
Protective Action Criteria (PAC)
12 [mg/m3]
130 [mg/m3]
790 [mg/m3]
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3399 4.3/PG 1
- HS 번호
- 29321900
- risk_code
- 14/15-19-22-36/37/38-41-37/38-11-67-66-40-36/37
- hazard_code
- F,Xn,Xi
- safety_code
- 16-33-36/37/39-7/9-7/8-43-37/39-26-36-29-36/37
- 포장분류
- I
- 위험 등급
- 4.3
- F 고인화성물질
- 1-10-13-34
- 자연 발화 온도
- 103°C
- Hazard Classifications
- Acute Tox. 4 OralCarc. 2Eye Dam. 1Flam. Liq. 2STOT SE 3Water-react 1
- 스토리지 클래스
- 4.3 - Hazardous materials which set free flammable gases upon contact with water
화학 및 산업
용도 및 제조
응용 분야
개요Borane tetrahydrofuran complex (BH3-THF) is widely used as a reducing agent in organic synthesis. It is also used as a reagent in hydroboration reactions.It is a charge-transfer complex that is a useful surrogate for diborane1 in organic synthesis. It can be used to reduce carboxylic acids to alcohols or nitriles to primary amines. It reacts with olefins to add the BH2 functional group. Alkyl- or arylboranes formed in this way can further react with unsaturated compounds such as olefins, imines, ketones, and alkynes (the hydroboration reaction) to make useful boron-containing intermediates.
용도Borane-tetrahydrofuran complex is used to reduce Nylon surface amide groups to secondary amines.It is an important reagent used in the reduction of certain functional groups viz. aldehyde, ketone, carboxylic acid, amide, oxime, imine and nitrile. It is also used as hydro borating agent. It acts as a borane source for oxazaborolidine catalyzed asymmetric reductions.
일반 설명Borane tetrahydrofuran complex (BH3-THF) is widely used as a reducing agent in organic synthesis. It is also used as a reagent in hydroboration reactions.
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