4-(Benzo[D]Thiazol-2-Ylthio)Morpholine 2-(吗啉基硫代)苯并噻唑

CAS 102-77-2 MFCD00022870

化学结构图

102-77-2
SMILES: c1ccc2sc(SN3CCOCC3)nc2c1

化学属性

Mol. FormulaC11H12N2OS2
Mol. Weight252.36
Melting Point78-80 °C
Density1.34-1.40
Appearance 浅黄色至棕色片状结晶。 易溶于二氯甲烷、丙酮,溶于苯、四氯化碳、醋酸乙酯、乙醇,微溶于汽油,不溶于水。
Boiling Point413.1±55.0 °C at 760 mmHg

别名和识别编码

Chemical Name4-(Benzo[D]Thiazol-2-Ylthio)Morpholine
MDL NumberMFCD00022870
CAS Number102-77-2
Synonym 2-(Morpholinothio)benzothiazole {LY} 2-(Morpholinothio)benzothiazole {} {LY} 2-(Morpholinothio)benzothiazole {} {} {LY} 2-(Morpholinothio)benzothiazole {} {} {} {LY} 2-(Morpholinothio)benzothiazole {} {} {} {} {LY} 2-(Morpholinothio)benzothiazole {} {} {} {} {} {LY} 2-(Morpholinothio)benzothiazole {} {} {} {} {} {} {LY} 2-(Morpholinothio)benzothiazole {} {} {} {} {} {} {} {LY} 2-(Morpholinothio)benzothiazole {} {} {} {} {} {} {} {} {LY} 2-(Morpholinothio)benzothiazole {} {} {} {} {} {} {} {} {} {LY} 2-(Morpholinothio)benzothiazole {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {LY} 2-(Morpholinothio)benzothiazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(Morpholinothio)benzothiazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(Morpholinothio)benzothiazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(Morpholinothio)benzothiazole {} {} {} {}
EC Number203-052-4
Chemical Name Translation2-(吗啉基硫代)苯并噻唑
Reaxys-RN191684
PubChem Substance ID7619
Wiswesser Line NotationT56 BN DSJ CS- AT6N DOTJ
Beilstein Registry Number191684
LabNetwork Molecule IDLN00192674
InChIInChI=1S/C11H12N2OS2/c1-2-4-10-9(3-1)12-11(15-10)16-13-5-7-14-8-6-13/h1-4H,5-8H2
Canonical SMILESC1(SN2CCOCC2)=NC3=CC=CC=C3S1
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分类

  • {uni_hamburg} no charge; oxygen heterocycle; sulfur heterocycle; nitrogen heterocycle; carbocycle; aromatic; alicycle; large ring; fused rings; 5ring; 6ring; 9ring; ether; 1fragment

相关文献及参考

  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15
  • Short: IV/8A Title: Enthalpies of Fusion and Transition of Organic Compounds Author: Zhang, Z.-Y.; Frenkel, M.; March, K.N.; Wilhoit, R.C. Editor: Marsh, K.N. Source: Landolt-Börnstein, New Series Volume: IV/8A Year: 1995 Keyword: organic compounds; enthaly of fusion; melting point; phase transition ISBN: 3-540-58854-X ISBN: 978-3-540-58854-2 Internet Resource: DOI:10.1007/b55145 RefComment: VIII, 588 pages.

安全信息

RTECSDL5950000
Packing GroupIII
UN Number 3077
Signal word
Hazard statements
  • H302 Harmful if swallowed 吞食有害
Precautionary statements
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P302+P352+P333+P313+P362+P364
  • P273 Avoid release to the environment. 避免释放到环境中。
  • P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
  • P333+P313
  • P301+P312+P330
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西,喝水或吸烟。
  • P302+P350
  • P272 Contaminated work clothing should not be allowed out of the workplace. 污染的工作服不得带出工作场所。
Hazard Class9
GHS Symbol
Hazard Codes Xi,N
Safety Statements
Risk Statements
  • R36/38 Irritating to eyes and skin 对眼睛和皮肤有刺激性
  • R22 Harmful if swallowed 吞咽有害
  • R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
  • R51/53
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 464 mg/kg
TOXIC EFFECTS :
   Tumorigenic - neoplastic by RTECS criteria
   Lungs, Thorax, or Respiration - tumors
   Liver - tumors
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: PB223-159

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >10 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ATDAEI Acute Toxicity Data. Journal of the American College of Toxicology,
   Part B. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128)  V.1-
   1990-  Volume(issue)/page/year: 15(Suppl 1),S74,1996

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1870 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Skin and Appendages - hair
REFERENCE :
   20ZJAG "Toksikologiia Novykh Khimicheskikh Veshchesty, Vnedriaemykh V,"
   Izrael'son, Z.I., ed., Rezinovuiu I Shinnaiu Promyshlennost, 1968
   Volume(issue)/page/year: -,64,1968

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 100 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: AD277-689

TYPE OF TEST            : DNA repair
TEST SYSTEM             : Bacteria - Escherichia coli
DOSE/DURATION           : 10 ug/plate
REFERENCE :
   ENMUDM Environmental Mutagenesis.  (New York, NY)  V.1-9, 1979-87.  For
   publisher information, see EMMUEG.  Volume(issue)/page/year: 5,193,1983

TYPE OF TEST            : Mutation in mammalian somatic cells
TEST SYSTEM             : Rodent - mouse Lymphocyte
DOSE/DURATION           : 10 mg/L
REFERENCE :
   ENMUDM Environmental Mutagenesis.  (New York, NY)  V.1-9, 1979-87.  For
   publisher information, see EMMUEG.  Volume(issue)/page/year: 5,193,1983

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Rodent - mouse Lymphocyte
DOSE/DURATION           : 15 mg/L
REFERENCE :
   ENMUDM Environmental Mutagenesis.  (New York, NY)  V.1-9, 1979-87.  For
   publisher information, see EMMUEG.  Volume(issue)/page/year: 5,193,1983

TYPE OF TEST            : Morphological transformation
TEST SYSTEM             : Rodent - mouse Embryo
DOSE/DURATION           : 200 ug/L
REFERENCE :
   ENMUDM Environmental Mutagenesis.  (New York, NY)  V.1-9, 1979-87.  For
   publisher information, see EMMUEG.  Volume(issue)/page/year: 5,193,1983

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Parenteral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 800 mg/kg
SEX/DURATION            : male 2 day(s) pre-mating
                          female 2 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death,
   e.g., stunted fetus)
   Reproductive - Effects on Embryo or Fetus - fetal death
REFERENCE :
   BEXBAN Bulletin of Experimental Biology and Medicine (English Translation).
   Translation of BEBMAE. (Plenum Pub. Corp., 233 Spring St., New York, NY
   10013)  V.41-    1956-  Volume(issue)/page/year: 93,107,1982

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Parenteral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 400 mg/kg
SEX/DURATION            : female 4-11 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death,
   e.g., stunted fetus)
   Reproductive - Effects on Embryo or Fetus - fetal death
REFERENCE :
   BEXBAN Bulletin of Experimental Biology and Medicine (English Translation).
   Translation of BEBMAE. (Plenum Pub. Corp., 233 Spring St., New York, NY
   10013)  V.41-    1956-  Volume(issue)/page/year: 93,107,1982

Storage condition 2-8°C, stored under nitrogen {LY} 2-8°C, stored under nitrogen {} {LY} 2-8°C, stored under nitrogen {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {

其他信息

  • MOL 文件:102-77-2.mol
  • 图谱信息:2-苯并噻唑基-N-吗啉基硫醚(102-77-2)红外图谱(IR2) 2-苯并噻唑基-N-吗啉基硫醚(102-77-2)红外图谱(IR1) 2-苯并噻唑基-N-吗啉基硫醚(102-77-2)核磁图( 1 HNMR) 2-苯并噻唑基-N-吗啉基硫醚(102-77-2)核磁图( 13 CNMR) 2-苯并噻唑基-N-吗啉基硫醚(102-77-2)质谱(MS)
  • 2-苯并噻唑基-N-吗啉基硫醚价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 M0532 2-(吗啉基硫代)苯并噻唑 2-(Morpholinothio)benzothiazole 500G 1460元 2014/06/02 M0532 2-(吗啉基硫代)苯并噻唑 2-(Morpholinothio)benzothiazole 25G 278元
  • 方法一:将促进剂M加入吗啉水溶液中,在23-56℃下滴加次氯酸钠进行氧化反应得到半成品,然后过滤、水洗、干燥得成品。原料消耗(kg/t)促进剂M(97%) 840吗啉(60%) 700氯气(95%) 478烧碱(40%) 4251硫酸(95%) 1170
  • 急性毒性:口服-大鼠 LD50: 1980 毫克/公斤; 口服-小鼠 LD50: 1870 毫克/公斤
  • 毒性分级:中毒
  • 用途二:后效快速硫化促进剂。
  • 可燃性危险特性:可燃; 燃烧产生有毒氮氧化物和硫化物烟雾
  • 刺激数据:眼睛-兔子 100 毫克/24小时 中度
  • Sigma Aldrich:102-77-2(sigmaaldrich)
  • 上游原料:氢氧化钠 --> 盐酸 --> 氯 --> 次氯酸钠 --> 1,4-氧氮六环 --> 2-巯基苯并噻唑
  • TCI Shanghai:2-(4-吗啡啉基硫代)苯并噻唑 2-(Morpholinothio)benzothiazole(102-77-2)
  • 储运特性:通风低温干燥
  • 用途一:用作后效性快速硫化促进剂,烧焦时间较长,操作安全性好
  • 下游产品:2-(4-吗啉基二硫代)苯并噻唑
  • 灭火剂:干粉,泡沫,沙土,二氧化碳, 雾状水
  • 类别:有毒物品

系列性分类


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