基本信息
- 标准SMILES
c1ccc2sc(SSN3CCOCC3)nc2c1- InChIKey
QRYFCNPYGUORTK-UHFFFAOYSA-N- 分子式
- C11H12N2OS3
- 平均分子量
- 284.4 g/mol
- 单同位素质量
- 284.011176
名称与标识
- 首选名称
- 2-(4-Morpholinyldithio)benzothiazole
- IUPAC
- 4-(1,3-benzothiazol-2-yldisulfanyl)morpholine
- 中文名
- 2-(4-吗啉基二硫代)苯并噻唑
- 英文名
- 4-(2-BENZOTHIAZOLYLDITHIO)MORPHOLINE
- 分子式
- C11H12N2OS3
- 分子量
- 284.42
名称与别名
展开更多名称
数据库标识
- CAS
95-32-9- PubChem CID
- 7231
- DTXSID
DTXSID2026573- ChEMBL
CHEMBL3186081- UNII
- 8IC2AN7P63
- EC Number
- 202-410-7
- Nikkaji
- J21.247D
性质
结构计算性质
- XLogP
- 3.1
- 极性表面积
- 104 Ų
- 氢键供体
- 0
- 氢键受体
- 6
- 可旋转键
- 3
- 重原子
- 17
- 形式电荷
- 0
- 复杂度
- 251
实验与物化性质
Physical Description
Dry Powder; Large Crystals
Cream to light yellow powder; [MSDSonline]
物理化学性质
- 熔点
- 130 °C · 130 °C
- 沸点
- 455 · 455.0±55.0 °C(Predicted)
- 密度
- 1.3762 · 1.3762 (rough estimate)
- 折射率
- 1.565 · 1.5650 (estimate)
- 形态
- Solid
- 酸度系数(pKa)
- -0.46 · -0.46±0.10(Predicted)
- CAS 数据库
- 95 · 95-32-9(CAS DataBase Reference)
- EPA化学物质信息
- 2 · Benzothiazole, 2-(4-morpholinyldithio)- (95-32-9)
化学性质
工业品为浅黄色粉末。相对密度1.51,熔点123-135℃。溶于氯仿,微溶于二硫化碳、丙酮,不溶于苯、石油醚、乙醇和水。
安全与法规
GHS分类
GHS Classification
This chemical does not meet GHS hazard criteria for 4.3% (1 of 23) of reports.
Warning
H317 (91.3%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 23 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Not Classified
危害信息
Regulatory Information
Chemical: Benzothiazole, 2-(4-morpholinyldithio)-
Benzothiazole, 2-(4-morpholinyldithio)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzothiazole, 2-(4-morpholinyldithio)- 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)
Benzothiazole, 2-(4-morpholinyldithio)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and Categories
Skin Sens. 1 (91.3%)
Hazardous to the aquatic environment (Acute) - Category 1
安全与防护
Disposal Methods
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
毒理信息
Human Toxicity Excerpts
ENVIRON SAMPLING & MEDICAL EVALUATIONS WERE CONDUCTED ON WORKERS IN DRYING & BAGGING DEPT TO KAGARAX-A. WHEAL TYPE LESIONS WERE FOUND DUE TO SKIN CONTACT, & SOME SENSITIZATION TO THE ALLERGENIC COMPONENT, 2-MERCAPTOBENZOTHIAZOLE, OF KAGARAX-A WAS FOUND.
安全数据
- tsca
- TSCA listed
- 毒性
- LD50 orl-mus: 3 g/kg SCIEAS 36(1-4),10,89
- RTECS号
- DL5953000
- 包装类别
- III
- 危险等级
- 9
- 安全说明
- 26-36/37/39
- 海关编码
- 2934.20.8000
- 危险类别码
- 36/37/38
- 毒害物质数据
- 95-32-9(Hazardous Substances Data)
- 危险品运输编号
- 3077
毒性防护
急性毒性口服-小鼠 LD50: 3000 毫克/公斤
包装储运
可燃性危险特性可燃; 燃烧产生有毒氮氧化物和硫氧化物烟雾
储运特性通风低温干燥
灭火剂干粉,泡沫,沙土,二氧化碳, 雾状水
化学与工业
用途与制造
Uses
Used as an accelerator and sulfur donor for natural and synthetic rubber; [HSDB]
Metal Machining [Category: Heat or Machine]
ACCELERATOR & SULFUR DONOR FOR NATURAL & SYNTHETIC RUBBER
U.S. Exports
(1979) No Data
(1981) No Data
U.S. Imports
(1979) No Data
(1981) No Data
U.S. Production
2023: 75,000 - <500,000 lb
(1979) PROBABLY GREATER THAN 9.08X10+5 GRAMS
(1981) PROBABLY GREATER THAN 4.54X10+5 GRAMS
>450,000 kg in 1977.
General Manufacturing Information
Rubber Product Manufacturing
Benzothiazole, 2-(4-morpholinyldithio)-: ACTIVE
应用领域
用途橡胶的后铲性硫化促进剂,亦可用作硫化剂。作促进剂用时,在天然胶中性能与促进剂CZ相似,但迟延性稍大。在54-1(W)型氯丁胶中应用时,配以促进剂 PZ,能加快硫化速度,焦烧性能亦好,制品物理性能优良。在丁苯胶中应用时,焦烧性能较差,可配硬脂酸促旱灾焦烧并提高定伸强度。作硫化剂用时,宜加入少量秋兰姆或二硫代氨基甲酸盐类促旱灾剂,提高硫代速成度,制品耐老化性能也能得到改进。该品在橡胶中易分散,几乎无污染性。主要用于制造轮胎、胶鞋、海绵、工业制品等。作硫化剂用时,用量2.5-5份、并配入1分左右的促进剂PZ。作促进剂用时,一般用量为0.4-1.5份。
制备方法
生产方法1.由促进剂M与吗啉、一氯化硫反应,制得促进剂 MDB;2.将36g促进剂M,36g吗啉,7g硫磺和100ml异丙醇一起加热至65-70℃,然后,将混合物慢慢用120ml1.5mol的次氯酸钠处理,再在55-65℃搅拌0.5h,产物经过洗涤后即到促进剂 MDB。3.将100ml乙醇溶液(含一硫化二吗啉20.5g)同另一个含17g促进剂M的100ml乙醇溶液混合反应,5h后,将反应物冷却过滤,得到促进剂 MDB。4.将促进剂NOBS26g、硫磺3.2g、乙醇150ml和吗啉8.5g共同回流反应2h,反应物冷却过滤后,得到促进剂 MDB。5.将一硫化吗啉,促进剂 DM,同吗啉和甲醇-起回流,1h后,将反应物冷却过滤,得到 MDB。
上下游产品信息
上游原料
试剂价格
- B1349 · 25G
- 4-(2-苯并噻唑二硫代)吗啉4-(2-Benzothiazolyldithio)morpholine — 170元
- B1349 · 500G
- 4-(2-苯并噻唑二硫代)吗啉4-(2-Benzothiazolyldithio)morpholine — 1690元
供应商50 家
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