1,1,3,3-Tetramethylthiourea 四甲基硫脲

CAS 2782-91-4 MFCD00008324

化学结构图

2782-91-4
SMILES: CN(C)C(=S)N(C)C

化学属性

Mol. FormulaC5H12N2S
Mol. Weight132.23
Boiling Point245°C at 760 mmHg
Melting Point75-77 °C
Flash Point190°(374°F)
TSCAYes
Solubility32 G/L (20 ºC)
Density1.422
Appearance 白色或黄白色结晶针状。比重1.37-1.46,熔点74-77℃,沸点245℃,溶于甲基丙稀酸甲脂、丙酮、二硫化碳、甲苯、氯仿、微溶于乙醇、乙醚、不溶于汽油和水.无臭、无味、无毒、.储藏稳定.在于强酸一起加热时会分解,在橡胶中分散好.

别名和识别编码

Chemical Name1,1,3,3-Tetramethylthiourea
Synonym Tetramethylthiourea {LY} Tetramethylthiourea {} {LY} Tetramethylthiourea {} {} {LY} Tetramethylthiourea {} {} {} {LY} Tetramethylthiourea {} {} {} {} {LY} Tetramethylthiourea {} {} {} {} {} {LY} Tetramethylthiourea {} {} {} {} {} {} {LY} Tetramethylthiourea {} {} {} {} {} {} {} {LY} Tetramethylthiourea {} {} {} {} {} {} {} {} {LY} Tetramethylthiourea {} {} {} {} {} {} {} {} {} {LY} Tetramethylthiourea {} {} {} {} {} {} {} {} {} {} {LY} Tetramethylthiourea {} {} {} {} {} {} {} {} {} {} {} {LY} Tetramethylthiourea {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Tetramethylthiourea {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Tetramethylthiourea {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Tetramethylthiourea {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Tetramethylthiourea {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Tetramethylthiourea {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
MDL NumberMFCD00008324
CAS Number2782-91-4
PubChem Substance ID87576154
Beilstein Registry Number1744916
EC Number220-488-0
Reaxys-RN1744916
Chemical Name Translation四甲基硫脲
Wiswesser Line Notation1N1&YUS&N1&1
LabNetwork Molecule IDLN00198047
InChIInChI=1S/C5H12N2S/c1-6(2)5(8)7(3)4/h1-4H3
Canonical SMILESCN(C)C(=S)N(C)C
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分类

  • {SNA} Building Blocks, Chemical Synthesis, Organic Building Blocks, Sulfur Compounds, Thioureas
  • {uni_hamburg} no charge; 1fragment

相关文献及参考

  • Short: II/25D
  • Effective poison for halting the Rosenmund reduction of benzoyl chloride at the aldehyde stage: J. Chem. Soc., 2024 (1962). For a review of the Rosenmund reduction, see: Org. React., 4, 362 (1948). See also Palladium, 11722 and Quinoline, A11545.
  • Ligand for the Pauson-Khand reaction for the synthesis of cyclopentenones (see Octacarbonyl­dicobalt, 13060), mediated by catalytic amounts of cobalt carbonyl: Org. Lett., 7, 593 (2005), or palladium chloride: Synlett, 1657 (2005).
  • Used in combination with Lawesson's Reagent, A14530 for converting diesters to bis-thioesters for subsequent radical coupling as a method of ring formation, e.g. in Nicolaou's syntheses of hemibrevitoxin B and brevitoxin B: J. Am. Chem. Soc., 115, 3558 (1993); 117, 10227 (1995).
  • Short: II/27B

安全信息

WGK Germany3
GHS Symbol
Hazard statements
  • H302 Harmful if swallowed 吞食有害
RTECSYU2750000
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Signal word Warning
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触;
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
Hazard Codes Xn
Precautionary statements
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛,皮肤或衣服。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • 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。
  • P301+P312+P330
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 2373 mg/kg/2Y-C
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Endocrine - thyroid tumors
REFERENCE :
   JEPTDQ Journal of Environmental Pathology and Toxicology.  (Park Forest
   South, IL)  V.1-5(3), 1977-81(?).  For publisher information, see JEPOEC.
   Volume(issue)/page/year: 2,889,1979

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Mammal - species unspecified
DOSE/DURATION           : 400 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GTPZAB Gigiena Truda i Professional'nye Zabolevaniya.  Labor Hygiene and
   Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR)
   V.1-36, 1957-1992. For publisher information, see MTPEEI
   Volume(issue)/page/year: 17(3),32,1973

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   TJADAB Teratology, The International Journal of Abnormal Development. (Alan
   R. Liss, Inc., 41 E. 11th St., New York, NY 10003)  V.1-    1968-
   Volume(issue)/page/year: 23,335,1981

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 920 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JEPTDQ Journal of Environmental Pathology and Toxicology.  (Park Forest
   South, IL)  V.1-5(3), 1977-81(?).  For publisher information, see JEPOEC.
   Volume(issue)/page/year: 2,889,1979

TYPE OF TEST            : Mutation test systems - not otherwise specified
TEST SYSTEM             : Human Fibroblast
DOSE/DURATION           : 10 ug/kg
REFERENCE :
   GTPZAB Gigiena Truda i Professional'nye Zabolevaniya.  Labor Hygiene and
   Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR)
   V.1-36, 1957-1992. For publisher information, see MTPEEI
   Volume(issue)/page/year: 17(3),32,1973

TYPE OF TEST            : Cytogenetic analysis
TEST SYSTEM             : Human Lymphocyte
DOSE/DURATION           : 100 ug/L
REFERENCE :
   CYGEDX Cytology and Genetics (English Translation).  Translation of TGANAK.
   (Allerton Press Inc., 150 Fifth Ave., New York, NY 10011)  V.8-    1974-
   Volume(issue)/page/year: 20(2),55,1986

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 250 mg/kg
SEX/DURATION            : female 10 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death,
   e.g., stunted fetus)
   Reproductive - Specific Developmental Abnormalities - craniofacial
   (including nose and tongue)
   Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
   TJADAB Teratology, The International Journal of Abnormal Development. (Alan
   R. Liss, Inc., 41 E. 11th St., New York, NY 10003)  V.1-    1968-
   Volume(issue)/page/year: 23,335,1981

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 250 mg/kg
SEX/DURATION            : female 12 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death,
   e.g., stunted fetus)
REFERENCE :
   TJADAB Teratology, The International Journal of Abnormal Development. (Alan
   R. Liss, Inc., 41 E. 11th St., New York, NY 10003)  V.1-    1968-
   Volume(issue)/page/year: 23,335,1981

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 500 mg/kg
SEX/DURATION            : female 11-12 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Embryo or Fetus - fetal death
REFERENCE :
   TXAPA9 Toxicology and Applied Pharmacology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1959-  Volume(issue)/page/year:
   41,35,1977

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 nitro

其他信息

  • TCI Shanghai:四甲基硫脲 Tetramethylthiourea(2782-91-4)
  • 用途一:用于有机合成
  • Alfa Aesar:1,1,3,3-四甲基硫脲,98% N,N,N',N'-Tetramethylthiourea, 98%(2782-91-4)
  • 海关编码:29309070
  • Sigma Aldrich:2782-91-4(sigmaaldrich)
  • MSDS 信息:1,1,3,3-Tetramethyl-2-thiourea(2782-91-4).msds
  • Acros Organics:1,1,3,3-四甲基-2-硫脲 1,1,3,3-Tetramethyl-2-thiourea, 98%(2782-91-4)
  • 四甲基硫脲价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 T0156 四甲基硫脲 Tetramethylthiourea 500G 3760元 2014/06/02 T0156 四甲基硫脲 Tetramethylthiourea 25G 427元 2010/06/21 151650250 四甲基硫脲 1,1,3,3-Tetramethyl-2-thiourea 98% 25 GR 405元
  • MOL 文件:2782-91-4.mol
  • 图谱信息:四甲基硫脲(2782-91-4)质谱(MS) 四甲基硫脲(2782-91-4)核磁图( 1 HNMR) 四甲基硫脲(2782-91-4)核磁图( 13 CNMR) 四甲基硫脲(2782-91-4)红外图谱(IR1) 四甲基硫脲(2782-91-4)红外图谱(IR2)

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