Ethyl Thiocyanate 硫氰酸乙酯

CAS 542-90-5 MFCD00001834

化学结构图

542-90-5
SMILES: CCSC#N

化学属性

Mol. FormulaC3H5NS
Mol. Weight87.14
Refractive index1.4620 to 1.4640
Boiling Point145°C
Density1.012 g/mL at 25 °C(lit.)
Flash Point42°C(lit.)
Solubility不溶于水,可混溶于醇、醚。

别名和识别编码

Chemical NameEthyl Thiocyanate
Synonym Thiocyanic acid, ethyl ester ETHYL RHODANIDE 硫氰酸乙酯 THIOCYANIC ACID ETHYL ESTER ethyl thiocyanate Ethane, thiocyanato- Ethyl sulfocyanate Ethylthiocyanat ethyl rhodanide Thiocyansäureethylester ethyl thiocyanide Ethylthiokyanat ethylthiokyanat(czech) ai3-18429 Aethylrhodanid Ethyl rhodanate Thiocyanato-ethane 乙基硫氰化物 isothiocyanato-ethane ethyl rhodonate ethyl sulfocyanide thiocyanato-ethan Ethyl thiocyanate; Thiocyanic acid ethyl ester Äthylthiocyanat ETHYL THIOCYANATE ethyl thiocyanate ETHYL RHODANATE Ethyl thiocyanate
MDL NumberMFCD00001834
CAS Number542-90-5
PubChem Substance ID10968
EC Number208-833-3
Beilstein Registry Number1737620
Reaxys-RN1737620
Chemical Name Translation硫氰酸乙酯
Wiswesser Line NotationNCS2
LabNetwork Molecule IDLN00193840
InChIInChI=1S/C3H5NS/c1-2-5-3-4/h2H2,1H3
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分类

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

相关文献及参考

  • Short: II/27B Title: Diamagnetic Susceptibility of Organic Compounds, Oils, Paraffins and Polyethylenes Author: Kumar, M.; Gupta, R. Editor: Gupta, Radha Raman Source: Landolt-Börnstein, New Series Volume: II/27B Year: 2008 Keyword: diamagnetic susceptibility; organic compounds ISBN: 978-3-540-44359-9 (print) ISBN: 978-3-540-45860-9 (online) Internet Resource: doi:10.1007/978-3-540-45860-9 RefComment: VIII, 503 p. With CD-ROM., Hardcover RefComment: Written for: Scientists and researchers in the fields of physics, chemistry, materials science RefComment: Supplement and Revised Editon to II/16 Abstract: The volume II/27 has been divided into three subvolumes according to the classes of compounds: Subvolume A: Diamagnetic susceptibility and magnetic anisotropy of inorganic and organometallic compounds; Subvolume B: Diamagnetic susceptibility of organic compounds, oils, paraffins and polyethylenes; Subvolume C: Diamagnetic susceptibility and magnetic anisotropy of organic compounds. The data presented in this volume are based on the literature survey of the chemical abstracts up to 2005. The calculated values of diamagnetic susceptibility of organic compounds in the present subvolume II/27B are presented along with their experimental values. They have been calculated with the use of structural parameters in structural formula by using different theoretical methods available in the literature.
  • Short: II/6 Title: Molecular Constants from Microwave, Molecular Beam, and Electron Spin Resonance Spectroscopy Author: Demaison, J.; Hüttner, W.; Starck, B.; Buck, I.; Tischer, R.; Winnewisser, M. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: II/6 Year: 1974 Keyword: organic compounds; molecular constants; spectroscopy; microwave spectroscopy ISBN: 3-540-05977-6 ISBN: 978-3-540-05977-6 Internet Resource: DOI:10.1007/b19951 RefComment: 153 figs., XIII, 688 pages
  • Short: III/20a Title: Nuclear Quad

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H226 Flammable liquid and vapour 易燃液体和蒸气
  • H302 Harmful if swallowed 吞食有害
  • H302+H312+H332
  • H312 Harmful in contact with skin 皮肤接触有害
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H332 Harmful if inhaled 吸入有害
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSXK9900000
Precautionary statements
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • P233 Keep container tightly closed. ?保持容器密闭。
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • P241 Use explosion-proof electrical/ventilating/lighting/…/equipment. 使用防爆电气/通风/照明/ .../设备。
  • P241+P242+P243
  • P242 Use only non-sparking tools. 只能使用无火花工具。
  • P243 Take precautionary measures against static discharge. 采取预防措施,防止静电放电。
  • 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。
  • 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。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • 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。
  • P301+P312
  • P301+P312+P330
  • P302+P352
  • P302+P352+P332+P313+P362+P364
  • P303+P361+P353
  • P304+P312
  • P304+P340
  • P304+P340+P312
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适,呼叫解毒中心或医生/医师。
  • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
  • P322 Specific measures (see …on this label). 具体治疗(见本标签上的)。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P337+P313
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服,清洗后方可重新使用
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P370+P378
  • P403+P233
  • P403+P235
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Warning
Hazard Codes Xn
Safety Statements
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后,立即用大量水冲洗并征求医生意见;
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触;
  • S16 Keep away from sources of ignition - No smoking 远离火源,禁止吸烟;
Risk Statements
  • R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
  • R10 Flammable 易燃
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
UN Number 1992 2929 UN 2929 6.1/PG 2
Packing GroupIII
Hazard Class3/6.1
Storage condition Flammables area
Warnings 危化品目录(2015) 危险化学品
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 40 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Lungs, Thorax, or Respiration - dyspnea
   Lungs, Thorax, or Respiration - cyanosis
REFERENCE :
   JIHTAB Journal of Industrial Hygiene and Toxicology.  (Cambridge, MA)
   V.18-31, 1936-49.  For publisher information, see AEHLAU.
   Volume(issue)/page/year: 18,310,1936

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 10 mg/kg
TOXIC EFFECTS :
   Peripheral Nerve and Sensation - flaccid paralysis without anesthesia
   (usually neuromuscu

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 18 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems
   Laboratory, NIOSH Exchange Chemicals.  (Aberdeen Proving Gr

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Mammal - cat
DOSE/DURATION           : 10 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Lungs, Thorax, or Respiration - other changes
   Gastrointestinal - other changes
REFERENCE :
   JIHTAB Journal of Industrial Hygiene and Toxicology.  (Cambridge, MA)
   V.18-31, 1936-49.  For publisher information, see AEHLAU.
   Volume(issue)/page/year: 18,310,1936

其他信息

  • F:13-19-21
  • TCI Shanghai:硫氰酸乙酯 Thiocyanic Acid Ethyl Ester,>;98.0%(GC)(542-90-5)
  • 下游产品:乙基磺酰氯
  • Sigma Aldrich:542-90-5(sigmaaldrich)
  • 毒性分级:剧毒
  • MOL 文件:542-90-5.mol
  • 海关编码:29309070
  • 储运特性:库房通风低温干燥; 与氧化剂, 酸类, 食品分开储运
  • Acros Organics:异硫氰酸乙酯 Ethyl thiocyanate, 99%(542-90-5)
  • 急性毒性:口服-大鼠 LDL0: 200 毫克/公斤; 腹注-小鼠 LD50 10 毫克/公斤
  • 图谱信息:硫氰酸乙酯(542-90-5)核磁图( 1 HNMR) 硫氰酸乙酯(542-90-5)红外图谱(IR1) 硫氰酸乙酯(542-90-5)核磁图( 13 CNMR) 硫氰酸乙酯(542-90-5)质谱(MS)
  • MSDS 信息:硫氰酸乙酯(542-90-5).msds
  • 硫氰酸乙酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 T0200 硫氰酸乙酯 Ethyl Thiocyanate 500ML 9620元 2014/06/02 T0200 硫氰酸乙酯 Ethyl Thiocyanate 25ML 1150元 2010/06/21 410440250 硫氰酸乙酯 Ethyl thiocyanate 99% 25 GR 1249元
  • 可燃性危险特性:可燃; 受热放出有毒氧化硫和氮氧化物气体
  • 灭火剂:干粉, 砂土, 泡沫, 二氧化碳
  • 外观性质:带葱气味的浅黄色液体。
  • 类别:有毒物品

系列性分类


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