1-Butanesulfonyl chloride (HCID 75430)

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 물성

XLogP: 1.6
극성 표면적: 42.5 Å²
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: 80 · 80-81 °C/9 mmHg (lit.)
밀도: 1.208 g/mL · 1.208 g/mL at 25 °C (lit.)
증기압: 0.5 mm · 0.5 mm Hg ( 20 °C)
굴절률: 20 · n20/D 1.454(lit.)
인화점: 175 °F · 175 °F
물리적 상태: 액체
색상: 무색투명~연황색 또는 연황색
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

GHS 분류

GHS Classification · 4건

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: 29049090
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 · 3건

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).