1,4-丁磺酸内酯

1,4-Butane sultone

HCID 15411CAS 1633-83-6

基本信息

标准SMILES
O=S1(=O)CCCCO1
InChIKey
MHYFEEDKONKGEB-UHFFFAOYSA-N
分子式
C4H8O3S
平均分子量
136.17 g/mol
单同位素质量
136.01941529

名称与标识

首选名称
1,4-Butane sultone
IUPAC
oxathiane 2,2-dioxide
中文名
1,4-丁磺酸内酯
英文名
1,4-Butane sultone
分子式
C4H8O3S
分子量
136.17

名称与别名

1,4-BUTANE SULTONE1,4-ButanesultoneButane sultone1,2-Oxathiane, 2,2-dioxide1,2-Oxathiane 2,2-dioxideButanesultoneButanesulfone1,4-Butylene sulfone1,4-Butanesulfone1(4)-ButanesultoneBRN 0110588HSDB 5846
展开更多名称
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74丁磺酸内酯白消安杂质191,4-丁磺内酯1,4 丁磺酸内1,4-丁烷磺酸-Sultone1,4-Butane1,4-BUTANE SULTON1,4-butylenesulfoneBusulfan Impurity 71,4-Butane suLJACS-1633-83-6δ-Valerosultone
UNII-4E0C1CLI2CEINECS 216-647-9NSC 71999DTXSID4061836NSC-719995-19-01-00010 (Beilstein Handbook Reference)1,4-BUTANE SULTONE [HSDB]1-BUTANESULFONIC ACID, 4-HYDROXY-, .DELTA.-SULTONE

数据库标识

CAS
1633-83-6
PubChem CID
15411
DTXSID
DTXSID4061836
UNII
4E0C1CLI2C
EC Number
216-647-9
Nikkaji
J3.676E

性质

结构计算性质

XLogP
0.1
极性表面积
51.8 Ų
氢键供体
0
氢键受体
3
可旋转键
0
重原子
8

实验与物化性质

Physical Description · 2 条

Liquid

Clear faintly brownish-yellow liquid; [MSDSonline]

物理化学性质

熔点
12 · 12-15 °C (lit.)
沸点
165 °C/25 · >165 °C/25 mmHg (lit.)
密度
1.331 g/mL · 1.331 g/mL at 25 °C (lit.)
折射率
20 · n20/D 1.464(lit.)
闪点
230 °F · >230 °F
储存条件
30 °C · Store below +30°C.

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

GHS Classification · 6 条

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];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 exposure; Respiratory 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.

危害信息

Regulatory Information · 3 条

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/26087

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 · 1 条

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%);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%)

毒理信息

Non-Human Toxicity Excerpts · 5 条

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.

法规信息

Regulatory Information · 3 条

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/26087

1,4-Butanesultone: Does not have an individual approval but may be used under an appropriate group standard

安全数据

wgk
3
tsca
TSCA listed
毒性
LD50 orally in Rabbit: 500 mg/kg
RTECS号
RP4300000
包装类别
III
危险等级
6.1(b)

毒性防护

急性毒性口服-大鼠 LD50: 500 毫克/公斤; 腹腔-小鼠 LD50: 138 毫克/公斤

包装储运 · 3 条

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

化学与工业

用途与制造

Uses · 2 条

Used as research chemical (alkylating agent); Not commercially produced in the US; [HSDB]

RESEARCH CHEMICAL (ALKYLATING AGENT)

U.S. Exports · 2 条

(1979) No Data

(1981) No Data

U.S. Imports · 2 条

(1979) No Data

(1981) No Data

U.S. Production · 3 条

2023: <50,000 lb;2022: 50,000 - <250,000 lb;2021: 50,000 - <250,000 lb;2020: 50,000 - <250,000 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
应用领域 · 4 条

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。

试剂价格

L03992 · 100g
1,4-丁烷磺内酯, 99%1,4-Butanesultone, 99% — 923元
10767 · 25ml
1,4-丁磺酸内酯1,4-Butane sultone, 99+%, Thermo Scientific Chemicals — 535元

供应商50 家

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
中节能万润股份有限公司0535-6101880 · [email protected]

相关反应

71 条

关联笔记

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