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1,4-丁磺酸内酯
磺酸内酯 · 丁烷磺内酯 · 丁基磺酸内酯 · 丁烷磺酸内酯 · 白消安杂质7 · 4丁磺酸内酯 · 白消安杂质19 · 1,4-丁磺内酯
标识与物理属性
| CAS No. | 1633-83-6 |
|---|---|
| 分子式 | C4H8O3S |
| 平均分子量 | 136.17 g/mol |
| 单同位素质量 | 136.01941529 g/mol |
| SMILES | O=S1(=O)CCCCO1 |
| InChIKey | MHYFEEDKONKGEB-UHFFFAOYSA-N |
| PubChem CID | 15411 |
| EC No. | 216-647-9 |
| DTXSID | DTXSID4061836 |
| 中文名 | 1,4-丁磺酸内酯 |
化学与物理性质
| XLogP | 0.1 |
|---|---|
| 极性表面积 | 51.8 |
| 氢键供体 | 0 |
| 氢键受体 | 3 |
| 可旋转键 | 0 |
| 重原子 | 8 |
| 形式电荷 | 0 |
| 复杂度 | 153 |
| Physical Description | LiquidClear faintly brownish-yellow liquid[MSDSonline] |
| 熔点 | 12-15 °C (lit.) |
| 沸点 | >165 °C/25 mmHg (lit.) |
| 密度 | 1.331 g/mL at 25 °C (lit.) |
| 折射率 | n20/D 1.464(lit.) |
| 闪点 | >230 °F |
| 储存条件 | Store below +30°C. |
| 溶解性 | 54g/l (decomposition)54 g/L (20 ºC) decomposes |
| 形态 | Liquid |
| 颜色 | Clear colorless to yellow |
| 敏感性 | Moisture Sensitive |
| BRN | 110588 |
| InChI | 1S/C4H8O3S/c5-8(6)4-2-1-3-7-8/h1-4H2 |
| InChIKey | MHYFEEDKONKGEB-UHFFFAOYSA-N |
| SMILES | O=S1(=O)CCCCO1 |
| CAS 数据库 | 1633-83-6(CAS DataBase Reference) |
| EPA化学物质信息 | 1,2-Oxathiane, 2,2-dioxide (1633-83-6) |
化学性质
无色液体。熔点12.5-14.5℃，沸点134-136℃（0.53kPa），相对密度1.331（20/4℃），折光率1.4640，能与多种有机溶剂混溶，不溶于水。
安全与法规
| GHS 分类 | This chemical does not meet GHS hazard criteria for 0.6% (1 of 167) of reports.WarningH302 (99.4%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (65.3%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (65.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (65.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H341 (66.5%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]H351 (95.8%): Suspected of causing cancer [Warning Carcinogenicity]H412 (62.9%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]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.Reported as not meeting GHS hazard criteria per 1 of 167 reports by companies.There are 11 notifications provided by 166 of 167 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| 法规信息 | 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)Status: Active Update: 30-07-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/260871,4-Butanesultone: Does not have an individual approval but may be used under an appropriate group standard |
| 危害概述 | A 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 ALAN EVALUATION OF THE HOST MEDIATED ASSAY AND BODY FLUID ANALYSIS A REPORT OF THE USA ENVIRONMENTAL PROTECTION AGENCY GENE-TOX PROGRAMMUTAT RES 98 (3): 319-74 (1982)] |
| Hazard Classes and Categories | Acute Tox. 4 (99.4%)Skin Irrit. 2 (65.3%)Eye Irrit. 2 (65.3%)STOT SE 3 (65.3%)Muta. 2 (66.5%)Carc. 2 (95.8%)Aquatic Chronic 3 (62.9%) |
| Non-Human Toxicity Excerpts | FEMALE ICR/HA SWISS MICE WERE INJECTED SC WITH 1,4-BUTANE SULTONE ONCE/WK FOR 580 DAYS @ 1.0 MG/0.05 ML TRICAPRYLIN. NO SIGNIFICANT TUMORIGENIC EFFECT WAS NOTED.1,4-BUTANE SULTONE WAS TESTED IN THE IP HOST-MEDIATED ASSAY, USING ADULT MALE SWISS-WEBSTER MICE AS THE HOST ANIMAL AND SALMONELLA TYPHIMURIUM AS A TEST ORGANISM. IT TESTED POS @ A CONCN OF 106.4 MG/KG IN STRAINS TA1530 AND TA1538 & @ A CONCN OF 138 MG/KG IN STRAIN TA1535.1,4-BUTANE SULTONE WAS POS FOR RECOMBINOGENIC ACTIVITY IN SACCHAROMYCES CEREVISIAE D3 WHEN ADMIN @ A CONCN OF 1.0% WITHOUT METABOLIC ACTIVATION.1,4-BUTANE SULTONE WAS TESTED IN THE AMES REVERSION TEST IN SALMONELLA TYPHIMURIUM STRAINS TA1535, TA1536, TA1537, TA1538, TA98 AND TA100 WITHOUT ACTIVATION @ 100 UG (0.73 UMOL/PLATE). IT WAS MUTAGENIC IN STRAINS TA1535, TA1537, AND TA100, CAUSING 500, 66, AND 470 HIS+ REVERTANTS/PLATE (MINUS BACKGROUND), RESPECTIVELY.For more Non-Human Toxicity Excerpts (Complete) data for 1,4-BUTANE SULTONE (6 total), please visit the HSDB record page. |
| 水危害等级（WGK） | 3 |
| TSCA 清单状态 | TSCA listed |
| 毒性 | LD50 orally in Rabbit: 500 mg/kg |
| RTECS 号 | RP4300000 |
| 包装类别 | III |
| 危险类别 | 6.1(b)Acute Tox. 4 OralCarc. 2Eye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3 |
| 储存类别 | 11 - Combustible Solids |
| 安全说明（S） | 22-36/37-45-36 |
| 海关编码 | 29349990 |
| 危险品标志 | Xn |
| 危险类别码（R） | 22-40-68-20/21/22 |
| 毒害物质数据 | 1633-83-6(Hazardous Substances Data) |
| 运输编号（UN） | 2810 |
急性毒性
口服-大鼠 LD50: 500 毫克/公斤; 腹腔-小鼠 LD50: 138 毫克/公斤
可燃性危险特性
热分解排出有毒硫氧化物烟雾
储运特性
库房通风低温干燥; 与食品原料类分开存放
灭火剂
水,干粉、干砂、二氧化碳、泡沫、1211灭火剂
用途与应用
用途
用于合成磺酸甜菜碱表面活性剂
用途
医学、化学试剂、表面活性剂、彩色染料增感剂的中间体。电镀中间体的合成起始原料。
用途
也用于合成多种增感染料，以及双子表面活性剂，也可用于锂离子二次电池。同时也是一种重要的医药中间体。
用途
1,4-丁磺酸内酯可用作有机磺化剂及精细化工中间体，用于医药、感光材料、锂电池、电子电镀、日用化工等。
制备与合成方法
生产方法
由四氢呋喃与乙酰氯反应得乙酸氯丁酯，再与亚硫酸钠反应得羟基丁磺酸，最后脱水得该品。总收率约40%左右。