9-Borabicyclo(3.3.1)nonane
기본 정보
- CAS
280-64-8- 표준 SMILES
B1C2CCCC1CCC2- InChIKey
FEJUGLKDZJDVFY-UHFFFAOYSA-N- 분자식
- C8H15B
- 평균 분자량
- 122.02 g/mol
- 단동위원소 질량
- 122.1266806
개요
an amino acid protecting group
이름 및 식별자
- 우선 이름
- 9-Borabicyclo(3.3.1)nonane
- IUPAC
- 9-borabicyclo[3.3.1]nonane
- 영어명
- 9-Borabicyclo[3.3.1]nonane
- 분자식
- C8H15B
- 분자량
- 122.02
이름 및 동의어
9-BBN compound9-BBN cpd9-Borabicyclo3.3.1nonaneRefChem:549220DTXCID2037760206-000-9280-64-84K4J8L1OG99-Borabicyclo(3,3,1)nonane9-Borabicyclo(3.3.1)nonane9-borabicyclononaneDTXSID3074781
이름 더 보기
9-BBN9-BBN, 0.4M SOLUTION IN HEXANESKseal9-BorabicycL9-BBN monomero[3.3.1]nonane9-BBN(0.5M in toluene)9-Borabicyclo[3.3.1]nona9-Borabicyclo[3.3.1]none9-BBN MonoMer, 0.5M in THF
(1beta,5beta)-9-Borabicyclo[3.3.1]nonane9-Borabicyclo[3.3.1]nonane, 0.5M solution in THF
데이터베이스 식별자
- CAS
280-64-8- PubChem CID
- 78966
- DTXSID
DTXSID3074781- EC Number
- 206-000-9
물성
구조 계산 물성
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 0
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 80.7
실험 및 물리화학적 성질
Chemical ClassesMetals -> Metalloid Compounds (Boron)
Physical DescriptionWhite solid; [Acros Organics MSDS]
물리화학적 성질
- 녹는점
- 140 · 140-142 °C
- 끓는 점
- 68 · 68-70 °C
- 밀도
- 0.894 g/mL · 0.894 g/mL at 25 °C
- 인화점
- 1 °F · 1 °F
- 저장 조건
- Flammables area
- 용해도
- 에테르, 헥산, 벤젠, 톨루엔, 사염화탄소, 클로로포름, 디메틸황화물 및 디클로로메탄과 혼합 가능. 시클로헥산, 디메톡시에탄, 디글라임 및 디옥산과 약간 섞임.
- 물리적 상태
- liquid
- 수용성
- 물과 반응
- BRN
- 605509 · 605509
- InChI
- InChI=1S/C8H15B/c1-3-7-5-2-6-8(4-1)9-7/h7-9H,1-6H2
- InChIKey
- FEJUGLKDZJDVFY-OCAPTIKFSA-N
- SMILES
- C12BC(CCC1)CCC2
- EPA
- 9 · 9-Borabicyclo[3.3.1]nonane (280-64-8)
화학적 성질
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H250 (72.6%): Catches fire spontaneously if exposed to air [Danger Pyrophoric liquids]
P210, P222, P223, P231, P231+P232, P233, P260, P264, P280, P301+P330+P331, P302+P335+P334, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P402+P404, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 146 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: 9-borabicyclo[3.3.1]nonane (EC: 206-000-9)
9-Borabicyclo3.3.1nonane: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryReacts with water; May cause irritation; [Acros Organics MSDS]
Hazard Classes and CategoriesPyr. Sol. 1 (72.6%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3399 4.3/PG 1
- HS 번호
- 29319090
- risk_code
- 14-20/21/22-36/37/38-36/37-19-14/15-11-67-65-62-51/53-48/20-38-40
- hazard_code
- F,Xn,Xi,N
- safety_code
- 16-26-36/37/39-45-43-33-62-61-36/37-29-7/8-37/39
- 포장분류
- III
- 위험 등급
- 4.1
- F 고인화성물질
화학 및 산업
용도 및 제조
General Manufacturing Information9-Borabicyclo[3.3.1]nonane: ACTIVE
응용 분야
용도9-BBN monomer acts as a selective hydroboration reagent in synthetic organic chemistry. It is employed in Suzuki reactions as well as in the preparation of terminal alcohols by the region selective addition of alkenes followed by oxidative cleavage using hydrogen peroxide. It is also used in copper-catalyzed cross-coupling reactions of organoboron compounds with primary alkyl halides and pseudohalides. It acts as a protecting group for alkenes. Further, it is used as a reactant for Hetero-Diels-Alder reaction for the synthesis of spirocyclic alkaloids. In addition to this, it is used in intramolecular insertion of alkenes into palladium-nitrogen bonds.
일반 설명9-Borabicyclo[3.3.1]nonane is an organic compound, which is generally used as a hydroborating agent. It is thermally stable, less sensitive to oxygen and water when compared to other dialkyl boranes. It is commonly used to prepare aldehydes from alkynes.
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