1-Thiocyanatobutane 硫氰酸丁酯

CAS 628-83-1 MFCD00039476

化学结构图

628-83-1
SMILES: CCCCSC#N

化学属性

Mol. FormulaC5H9NS
Mol. Weight115.20
Density0.961
Refractive index1.4640
TSCAYes
Boiling Point180-183 °C at 760 mmHg
Solubility不溶于水，溶于醇、醚。

别名和识别编码

Chemical Name1-Thiocyanatobutane
Synonym (Butylsulfanyl)carbonitrile {LY} (Butylsulfanyl)carbonitrile {} {LY} (Butylsulfanyl)carbonitrile {} {} {LY} (Butylsulfanyl)carbonitrile {} {} {} {LY} (Butylsulfanyl)carbonitrile {} {} {} {} {LY} (Butylsulfanyl)carbonitrile {} {} {} {} {} {LY} (Butylsulfanyl)carbonitrile {} {} {} {} {} {} {LY} (Butylsulfanyl)carbonitrile {} {} {} {} {} {} {} {LY} (Butylsulfanyl)carbonitrile {} {} {} {} {} {} {} {} {LY} (Butylsulfanyl)carbonitrile {} {} {} {} {} {} {} {} {} {LY} (Butylsulfanyl)carbonitrile {} {} {} {} {} {} {} {} {} {} {LY} (Butylsulfanyl)carbonitrile {} {} {} {} {} {} {} {} {} {} {} {LY} (Butylsulfanyl)carbonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} (Butylsulfanyl)carbonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} (Butylsulfanyl)carbonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} (Butylsulfanyl)carbonitrile {} {} {} {} {} {} {} {}
MDL NumberMFCD00039476
EC Number211-056-2
CAS Number628-83-1
Beilstein Registry Number1098562
Chemical Name Translation硫氰酸丁酯
Wiswesser Line NotationNCS4
Canonical SMILESCCCCSC#N
PubChem Substance ID12357
InChIInChI=1S/C5H9NS/c1-2-3-4-7-5-6/h2-4H2,1H3
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分类

  • {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: III/35C1 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts and Coupling Constants for Hydrogen-1, Part 1: Aliphatic and Aromatic Hydrocarbons, Steroids, Carbohydrates Author: Gupta, R.R.; Jain, M. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35C1 Year: 2000 ISBN: 3-540-66780-6 ISBN: 978-3-540-66780-3 Internet Resource: DOI:10.1007/b60149 RefComment: VII, 310 pages. With CD-ROM. Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance dat

安全信息

RTECSXK8500000
Risk Statements
  • R36 Irritating to eyes 刺激眼睛
  • R22 Harmful if swallowed 吞咽有害
  • R32 Contact with acids liberates very toxic gas 与酸接触释放出毒性很高的气体
Safety Statements
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
  • 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；
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
Storage condition Moisture Sensitive
UN Number 2810 
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 238 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            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 124 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - convulsions or effect on seizure threshold
   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           : 13 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   PCBPBS Pesticide Biochemistry and Physiology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802)  V.1-    1971

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 2385 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
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

Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H315 Causes skin irritation 会刺激皮肤
  • H318 Causes serious eye damage 严重伤害眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Precautionary statements
  • 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。
  • P264+P265
  • 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+P317
  • P302+P352
  • P304+P340
  • P305+P351+P338
  • P305+P354+P338
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • 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。
  • P317
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P332+P317
  • 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
  • P362+P364
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....

其他信息

  • 可燃性危险特性:明火可燃; 高热放出有毒硫氧化物，氮氧化物和氰化物气体
  • MSDS 信息:628-83-1.msds
  • 毒性分级:高毒
  • 急性毒性:口服- 大鼠 LDL0: 250 毫克/ 公斤; 腹腔- 小鼠 LD50: 13 毫克/ 公斤
  • 灭火剂:泡沫、1211灭火剂、干粉. 禁用酸碱灭火剂
  • Alfa Aesar:n-Butyl thiocyanate, 97%(628-83-1)
  • Sigma Aldrich:628-83-1(sigmaaldrich)
  • MOL 文件:628-83-1.mol
  • 外观性质:无色液体。
  • 储运特性:库房通风低温干燥; 与氧化剂、酸类、食品添加剂分开存放
  • 类别:有毒物品

系列性分类

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