1-Butanesulfonyl chloride
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기본 정보
- CAS
2386-60-9- 표준 SMILES
CCCCS(=O)(=O)Cl- InChIKey
WEDIIKBPDQQQJU-UHFFFAOYSA-N- 분자식
- C4H9ClO2S
- 평균 분자량
- 156.63 g/mol
- 단동위원소 질량
- 156.00117821
이름 및 식별자
- 우선 이름
- 1-Butanesulfonyl chloride
- IUPAC
- butane-1-sulfonyl chloride
- 영어명
- 1-Butanesulfonyl chloride
- 분자식
- C4H9ClO2S
- 분자량
- 156.63
이름 및 동의어
1-Butanesulfonyl chloride2386-60-9Butane-1-sulfonyl chlorideButylsulfonyl chlorideButanesulfonyl chloride1-Butylsulfonyl chloriden-Butanesulphonyl chloriden-Butanesulfonyl chlorideDTXSID3044883NSC 8027EINECS 219-204-8BRN 1748742
이름 더 보기
1-ButanesuLButylsulfonylButylsulfonylchlorideBUTANESULFONYLCHLORIDEButanesulphonyl chlorideN-BUTYLSULFONYL CHLORIDE1-(Chlorosulphonyl)butane
UNII-63US19408HNSC-802763US19408HDTXCID10248831Butylsulfonyl chloridenButanesulphonyl chlorideRefChem:75209Butane1sulphonyl chloride
데이터베이스 식별자
- CAS
2386-60-9- PubChem CID
- 75430
- DTXSID
DTXSID3044883- ChEMBL
CHEMBL3184302- UNII
- 63US19408H
- EC Number
- 219-204-8
- Nikkaji
- J192.723J
물성
구조 계산 물성보충 중
- XLogP
- 1.6
- 극성 표면적
- 42.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 8
- 형식 전하
- 0
- 복잡도
- 133
실험 및 물리화학적 성질
Chemical ClassesToxic Gases & Vapors -> Acid Halides
SpringerMaterials PropertiesBoiling point
Vapor Pressure0.5 [mmHg]
Physical DescriptionColorless, light yellow, or light orange liquid; [Acros Organics MSDS]
물리화학적 성질
- 녹는점
- -29 °C · -29°C
- 끓는 점
- 65 °C/80 · 65 °C/80 mmHg
- 밀도
- 1.22 · 1.22
- 증기압
- 0.5 mm · 0.5 mm Hg ( 20 °C)
- 굴절률
- 1.46 · 1.46
- 인화점
- 79 °C · 79 °C
- 물리적 상태
- 액체
- 색상
- Colorless to Light yellow to Light orange
- 수용성
- 물에서 분해되다
- BRN
- 1748742 · 1748742
- InChI
- 1S/C4H9ClO2S/c1-2-3-4-8(5,6)7/h2-4H2,1H3
- InChIKey
- WEDIIKBPDQQQJU-UHFFFAOYSA-N
- SMILES
- CCCCS(Cl)(=O)=O
- NIST
- 1 · 1-Butanesulfonyl chloride(2386-60-9)
- EPA
- 1 · 1-Butanesulfonyl chloride (2386-60-9)
화학적 성질
clear colourless to light yellow liquid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H302 (43.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P271, P280, P284, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P320, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 81 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazards SummaryIntraperitoneal LD50 (mouse) > 100 mg/kg; [RTECS] Reacts with water evolving toxic gas; Causes burns and lachrymation; [Acros Organics MSDS] See Ethanesulfonylchloride, 2-chloro-.
Hazard Classes and CategoriesAcute Tox. 4 (43.2%)
독성 정보
Adverse EffectsDermatotoxin - Skin burns.
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- EK5950000
- ridadr
- UN 3265 8/PG 2
- 독성
- mouse,LD50,intraperitoneal,> 100mg/kg (100mg/kg),Nature. Vol. 174, Pg. 737, 1954.
- HS 번호
- 2904990090
- risk_code
- 34-36/37
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- 포장분류
- II
- 위험 등급
- 8
- F 고인화성물질
- 10-19-21
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1BSTOT SE 3
- 스토리지 클래스
- 8A - Combustible corrosive hazardous materials
화학 및 산업
용도 및 제조
General Manufacturing Information1-Butanesulfonyl chloride: ACTIVE
응용 분야
개요1-Butanesulfonyl chloride is an antimicrobial agent that inhibits the production of inflammatory substances. It has been shown to inhibit acetylcholinesterase activity and the growth of cancer cells in vitro. 1-Butanesulfonyl chloride is a cross-linking agent that can be used to produce amides, which are used as pharmaceutical preparations for treating inflammatory diseases.
용도1-Butanesulfonyl chloride has been used in the preparation of:ethyl 2-(1-butanesulfonamido)pent-4-yn-l-oate1-butanesulfonamid-N,N′-1,2-ethanediylbis1-butanesulfonamide-N,N′-1,3-propanediylbis
일반 설명1-Butanesulfonyl chloride is a clear, colourless to pale yellow liquid with a pungent odour, primarily used as a chemical intermediate in organic synthesis. It is a highly reactive sulfonyl chloride derivative, commonly employed in the production of sulphonamide drugs, pharmaceutical formulations and active pharmaceutical ingredients (APIs).
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