1,4-Butane sultone
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기본 정보
- CAS
1633-83-6- 표준 SMILES
O=S1(=O)CCCCO1- InChIKey
MHYFEEDKONKGEB-UHFFFAOYSA-N- 분자식
- C4H8O3S
- 평균 분자량
- 136.17 g/mol
- 단동위원소 질량
- 136.01941529
이름 및 식별자
- 우선 이름
- 1,4-Butane sultone
- IUPAC
- oxathiane 2,2-dioxide
- 영어명
- 1,4-Butane sultone
- 분자식
- C4H8O3S
- 분자량
- 136.17
이름 및 동의어
1,4-BUTANE SULTONE1,4-ButanesultoneButane sultone1,2-Oxathiane, 2,2-dioxide1,2-Oxathiane 2,2-dioxideButanesulfoneButanesultone1,4-Butylene sulfone1,4-Butanesulfone1(4)-ButanesultoneBRN 0110588HSDB 5846
이름 더 보기
-Sultone1,4-Butane1,4-BUTANE SULTON1,4-butylenesulfoneBusulfan Impurity 71,4-Butane suLJACS-1633-83-6δ-Valerosultone
deltaValerosultoneUNII-4E0C1CLI2CEINECS 216-647-9NSC 71999DTXSID4061836NSC-719995-19-01-00010 (Beilstein Handbook Reference)1-BUTANESULFONIC ACID, 4-HYDROXY-, .DELTA.-SULTONE
데이터베이스 식별자
- CAS
1633-83-6- PubChem CID
- 15411
- DTXSID
DTXSID4061836- UNII
- 4E0C1CLI2C
- EC Number
- 216-647-9
- Nikkaji
- J3.676E
물성
구조 계산 물성보충 중
- XLogP
- 0.1
- 극성 표면적
- 51.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 8
- 형식 전하
- 0
- 복잡도
- 153
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Sulfur Compounds
Physical Description
Liquid
Clear faintly brownish-yellow liquid; [MSDSonline]
물리화학적 성질
- 녹는점
- 12 · 12-15 °C (lit.)
- 끓는 점
- 165 °C/25 · >165 °C/25 mmHg (lit.)
- 밀도
- 1.331 g/mL · 1.331 g/mL at 25 °C (lit.)
- 굴절률
- 20 · n20/D 1.464(lit.)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- 30 °C · Store below +30°C.
- 용해도
- 54 g/l · 54g/l(분해)
- 물리적 상태
- 액체
- 색상
- 무색~황색으로 투명함
- 수용성
- 54 g/L · 54g/L(20℃) 분해
- BRN
- 110588 · 110588
- InChI
- 1S/C4H8O3S/c5-8(6)4-2-1-3-7-8/h1-4H2
- InChIKey
- MHYFEEDKONKGEB-UHFFFAOYSA-N
- SMILES
- O=S1(=O)CCCCO1
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 0.6% (1 of 167) of reports.
Warning
H302 (99.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 167 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
1,2-Oxathiane, 2,2-dioxide is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,2-Oxathiane, 2,2-dioxide 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)
REACH registered substance: 1(4)-butanesultone (EC: 216-647-9)
1,4-Butanesultone: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA mutagen and equivocal tumorigen; [RTECS] May cause irritation; [MSDSonline] See Propane sultone.
Special Reports
THIS IS A REVIEW OF THE HOST MEDIATED ASSAY AND BODY FLUID ASSAY AS REPORTED FOR 208 CHEMICALS. 1,4-BUTANE SULTONE WAS POSITIVE FOR AN UNSPECIFIED STRAIN OF SALMONELLA TYPHIMURIUM.[LEGATOR MS ET AL; AN EVALUATION OF THE HOST MEDIATED ASSAY AND BODY FLUID ANALYSIS A REPORT OF THE USA ENVIRONMENTAL PROTECTION AGENCY GENE-TOX PROGRAM; MUTAT RES 98 (3): 319-74 (1982)]
Hazard Classes and CategoriesAcute Tox. 4 (99.4%)
독성 정보
화학 및 산업
용도 및 제조
Uses
Used as research chemical (alkylating agent); Not commercially produced in the US; [HSDB]
RESEARCH CHEMICAL (ALKYLATING AGENT)
U.S. Exports
(1979) No Data
(1981) No Data
U.S. Imports
(1979) No Data
(1981) No Data
U.S. Production
2023: <50,000 lb
(1979) NOT PRODUCED COMMERCIALLY IN U.S.
(1981) NOT PRODUCED COMMERCIALLY IN U.S.
Industry UsesIntermediate
Methods of ManufacturingPROBABLY BY DEHYDRATION OF 4-HYDROXY-1-BUTANESULFONIC ACID
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
1,2-Oxathiane, 2,2-dioxide: ACTIVE
응용 분야
개요1,4-Butane sultone is an impurity in sulfobutyl ether β-cyclodextrin (SBE-β-CD), and has been reported to be a weak carcinogen. 1,4-Butane sultone can be used for preparation of Brnsted acidic ionic liquids and the ionic liquid is green, highly water soluble, thermally stable, specific and catalytically stable, and can be used for the preparation of symmetrical 3,3'-diaryloxyoctanone compounds[1-2].
용도1,4-Butane Sultone is an alkylating agent with weak carcinogenic activity.
상·하류 제품 정보
상류 원료
관련 반응
71건
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