1-Butanesulfonyl chloride (HCID 75430)

名称と識別子

優先名称: 1-Butanesulfonyl chloride
IUPAC: butane-1-sulfonyl chloride
現地名: 1-ブタンスルホニルクロリド
英語名: 1-Butanesulfonyl chloride
分子式: C4H9ClO2S
分子量: 156.63

名称と別名

1-Butanesulfonyl chloride2386-60-9Butane-1-sulfonyl chlorideButylsulfonyl chlorideButanesulfonyl chloride1-Butylsulfonyl chloriden-Butanesulphonyl chloriden-Butanesulfonyl chlorideDTXSID3044883NSC 8027EINECS 219-204-8BRN 1748742

名称をさらに表示

1-ブタンスルホニルクロリド1-ブタンスルホン酸クロリドブタン-1-スルホニル=クロリドブタン1-スルホニルクロリドブタン-1-スルホニルクロリドブタン-1-スルホン酸クロリド1-ブタンスルフォニルクロライド塩化1-ブタンスルホニルブチルスルホニルクロリド塩化1‐ブタンスルホニル塩化1-ブタンスルホニル, 99%1-ButanesuLButylsulfonylButylsulfonylchlorideBUTANESULFONYLCHLORIDEButanesulphonyl chlorideN-BUTYLSULFONYL CHLORIDE1-(Chlorosulphonyl)butane

UNII-63US19408HNSC-802763US19408HDTXCID10248831Butylsulfonyl chloridenButanesulphonyl chlorideRefChem:75209Butane1sulphonyl chloride

データベース識別子

CAS: 2386-60-9
PubChem CID: 75430
DTXSID: DTXSID3044883
ChEMBL: CHEMBL3184302
UNII: 63US19408H
EC Number: 219-204-8
Nikkaji: J192.723J

物性

構造計算による物性

XLogP: 1.6
極性表面積: 42.5 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 3
重原子数: 8
形式電荷: 0
複雑度: 133

実験および物理化学的性質

Chemical ClassesToxic Gases & Vapors -> Acid Halides

SpringerMaterials PropertiesBoiling point

Vapor Pressure0.5 [mmHg]

Physical DescriptionColorless, light yellow, or light orange liquid; [Acros Organics MSDS]

物理化学的性質

融点: -29 °C · -29°C
沸点: 80 · 80-81 °C/9 mmHg (lit.)
比重(密度): 1.208 g/mL · 1.208 g/mL at 25 °C (lit.)
蒸気圧: 0.5 mm · 0.5 mm Hg ( 20 °C)
屈折率: 20 · n20/D 1.454(lit.)
闪点: 175 °F · 175 °F
外見: 液体
色: 無色透明～淡黄色または淡橙色
水溶解度: 分解する
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
CAS データベース: 2386 · 2386-60-9(CAS DataBase Reference)
NISTの化学物質情報: 1 · 1-Butanesulfonyl chloride(2386-60-9)
EPAの化学物質情報: 1 · 1-Butanesulfonyl chloride (2386-60-9)

化学的性質

化学的特性clear colourless to light yellow liquid

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

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%)

毒性情報

Adverse EffectsDermatotoxin - Skin burns.

安全データ

F: 10-19-21
wgk: 3
tsca: TSCA listed
rtecs: EK5950000
ridadr: UN 3265 8/PG 2
毒性: mouse,LD50,intraperitoneal,> 100mg/kg (100mg/kg),Nature. Vol. 174, Pg. 737, 1954.
hs_code: 29049090
risk_code: 34-36/37
安衛法: 変異原性物質
消防法: 危-4-3-III
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: II
Hazard Classifications: Eye Dam. 1Skin Corr. 1BSTOT SE 3
ストレージクラス: 8A - Combustible corrosive hazardous materials

化学と産業

用途と製造

General Manufacturing Information1-Butanesulfonyl chloride: ACTIVE

応用分野 · 3 件

説明1-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.

使用1-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

一般的な説明1-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).

調製方法 · 1 件

純化方法It has a pungent odour and is LACHRYMATORY. If IR shows OH bands, then dissolve in Et2O, wash with cold saturated aqueous NaHCO3 (care since CO2 will be generated) then H2O, dry it over solid Na2SO4, filter, evaporate and distil the residue twice. Characterise it by shaking a solution in Et2O or *C6H6 with aqueous NH3, collect the solid 1-butanesulfonamide with m 48o after recrystallisation from CHCl3, CCl4 or Et2O/pet ether. [Douglass & Johnson J Am Chem Soc 60 1488 1938, Lee & Dougherty J Org Chem 5 83 1940, Beilstein 4 IV 45.]