테트라뷰틸포스포니움 브롬화물
Tetrabutylphosphonium bromide
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기본 정보
- CAS
3115-68-2- 표준 SMILES
CCCC[P+](CCCC)(CCCC)CCCC.[Br-]- InChIKey
RKHXQBLJXBGEKF-UHFFFAOYSA-M- 분자식
- C16H36BrP
- 평균 분자량
- 339.33 g/mol
- 단동위원소 질량
- 338.17379988
개요
RN given refers to Br
이름 및 식별자
- 우선 이름
- Tetrabutylphosphonium bromide
- IUPAC
- tetrabutylphosphanium bromide
- 현지명
- 테트라뷰틸포스포니움 브롬화물
- 영어명
- Tetrabutylphosphonium bromide
- 분자식
- C16H36BrP
- 분자량
- 339.33
이름 및 동의어
Tetrabutylphosphonium bromide3115-68-2Tetra-N-butylphosphonium bromidePhosphonium, tetrabutyl-, bromideDTXSID6047945NSC-419422953275L2KDTXCID6027921Bu4PBrDTXSID0045042TBP BrRefChem:188422
이름 더 보기
테트라부틸포스포니움브롬화물테트라뷰틸포스포니움브롬화물테트라뷰틸포스포니움브롬화물px4bP4,4,4,4BrHISHICOLIN PX-4B1-(3-methoxypropoxy)butaneTributylphosphoniuM broMideTetrabutylphosphoniuM broMidtetrabutyl-phosphoniubromideBromo(tetrabutyl)phosphorane
DTXCID8025042221-487-8Tetrabutylphosphoniumtetrabutylphosphanium;bromideMFCD00011853tetrabutylphosphanium bromidePX 4BEINECS 221-487-8
데이터베이스 식별자
- CAS
3115-68-2- PubChem CID
- 76564
- DTXSID
DTXSID6047945- ChEMBL
CHEMBL3185844- UNII
- 2953275L2K
- EC Number
- 221-487-8
물성
구조 계산 물성보충 중
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 116
실험 및 물리화학적 성질
Physical DescriptionLiquid
물리화학적 성질
- 녹는점
- 100 · 100-103 °C(lit.)
- 밀도
- 1.8 · 1.8[at 20℃]
- 증기압
- 0.018 Pa · 0.018Pa at 25℃
- 인화점
- 290 °C · 290 °C
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 수정 같은
- 색상
- 하얀색
- 수용성
- 70 g/100mL · 약 70g/100mL
- BRN
- 4160474 · 4160474
- 안정성
- 흡습성
- InChI
- 1S/C16H36P.BrH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1
- InChIKey
- JRMUNVKIHCOMHV-UHFFFAOYSA-M
- SMILES
- [Br-].CCCC[P+](CCCC)(CCCC)CCCC
- LogP
- -0.44 at · -0.44 at 23℃
- NIST
- Phosphonium bromide, tetrabutyl(3115-68-2)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H302 (99.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P316, P317, P318, P319, P321, P330, P332+P317, P333+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 163 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
유해성 정보
Regulatory Information
Phosphonium, tetrabutyl-, bromide (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phosphonium, tetrabutyl-, bromide (1:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 06-05-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/18995
Tetrabutylphosphonium: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Acute Tox. 4 (99.4%)
Skin corrosion/irritation - Category 2
Skin sensitization - Category 1B
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- TA2417000
- ridadr
- UN 3464 6.1/PG 3
- 독성
- mouse,LD50,intravenous,56mg/kg (56mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03131,
화학 및 산업
용도 및 제조
U.S. Production2023: 50,000 - <250,000 lb
Industry UsesProcessing aids not otherwise specified
General Manufacturing Information
Synthetic Rubber Manufacturing
Phosphonium, tetrabutyl-, bromide (1:1): ACTIVE
응용 분야
용도Tetrabutylphosphonium bromide (TBPB) is a quaternary salt which can be used:As a medium to disperse ruthenium catalyst for the synthesis of ethylene glycol from synthesis gas via ruthenium melt catalysis.As a catalyst supported on silica or alumina for the halogen exchange reaction to synthesize alkyl bromide from alkyl chloride.To synthesize various ionic liquids on mixing with different proportions of 1,3-dimethylurea for capturing NO gas.As a hydrogen-bond acceptor along with levulinic acid as a hydrogen-bond donor for the preparation of deep eutectic solvents to separate toluene from toluene/n-hexane mixtures.To prepare ionic semiclathrate hydrates.
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