1-Naphthyl Isothiocyanate 1-萘异硫氰酸酯

CAS 551-06-4 MFCD00003882

化学结构图

551-06-4
SMILES: S=C=Nc1cccc2ccccc12

化学属性

Mol. FormulaC11
Mol. Weight185
Melting Point53.0 to 57.0 deg-C
TSCAYes
Solubility不溶于水,易溶于苯、丙酮、乙醚、热乙醇。
Density1.11
Stability对湿度敏感

别名和识别编码

Chemical Name1-Naphthyl Isothiocyanate
CAS Number551-06-4
Alfabeta NameNAPHTHYLISOTHIOCYANATE 1-
MDL NumberMFCD00003882
PubChem Substance ID87571571
EC Number208-990-8
Merck Number6411
Beilstein Registry Number12,1244
Synonym 1-isothiocyanato-naphthalen 1-isothiocyanate-naphthalene alpha-Naphthyl isothiocyanate Naphthyl mustard oil Naphthalene, isothiocyanato- 1-异硫氰酸萘酯 异硫氰酸-1-萘酯 1-NAPHTHYL ISOTHIOCYANATE >95% 1-萘异硫氰酸酯; 1-异硫代氰酸萘基酯 α-萘异硫氰酸酯 Kesscocide 1-Isothiocyanatonaphthalene 1-Isothiocyanate-naphthalene α-萘基硫代异氰酸酯 ANIT 1-Naphthalene isothiocyanate 1-Isothiocyanatenaphthalene 1-NAPHTHYL ISOTHIOCYANATE 1-萘异硫氰酸酯 α-Naphthyl isothiocyanate
Chemical Name Translation1-萘异硫氰酸酯
Reaxys-RN637868
Wiswesser Line NotationL66J BNCS
LabNetwork Molecule IDLN00158856
InChIInChI=1S/C11H7NS/c13-8-12-11-7-3-5-9-4-1-2-6-10(9)11/h1-7H
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分类

  • {SNA} Analytical Reagents, Analytical/Chromatography, Building Blocks, Chemical Synthesis, Derivatization Reagents, Derivatization Reagents HPLC, Organic Building Blocks, Sulfur Compounds, Thiocyanates/Isothiocyanates, UV-VIS
  • {SNA} Building Blocks, Chemical Synthesis, Derivatization Reagents, Derivatization Reagents HPLC, Organic Building Blocks, Sulfur Compounds, Thiocyanates/Isothiocyanates, UV-VIS, 分析/色谱, 分析试剂

相关文献及参考

  • Merck:14,6411 Beilstein:12,1244

安全信息

Warnings IRRITANT-HARMFUL 危化品目录(2015) 危险化学品
WGK Germany3
GHS Symbol
Precautionary statements
  • P304+P340+P312
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • 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
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • 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。
  • P332+P313
  • P302+P352+P332+P313+P362+P364
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P405 Store locked up. 上锁保管。
  • P285 In case of inadequate ventilation wear respiratory protection. 在通风不足的情况下,戴呼吸防护。
  • P301+P310
  • P342+P311
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P301+P310+P330
  • P403+P233
  • 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。
  • P284 Wear respiratory protection.? 佩戴呼吸保护装置。
Signal word
Hazard statements
  • H312+H332
  • H315 Causes skin irritation 会刺激皮肤
  • H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled 吸入可能导致过敏或哮喘症状或呼吸困难
  • H301 Toxic if swallowed 吞食有毒
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H319 Causes serious eye irritation 严重刺激眼睛
RTECSNX9100000
Personal Protective Equipment Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
Safety Statements
  • S22 Do not breathe dust 不要吸入粉尘;
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时,立即求医(可能时出示标签);
  • 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;
Packing GroupIII
UN Number UN 2811 6.1/PG 3 2811
Risk Statements
  • R23/24/25 Toxic by inhalation, in contact with skin and if swallowed 吸入,皮肤接触及吞食都有毒
  • R34 Causes burns 会导致灼伤
Storage condition Moisture Sensitive 密封保存 2-8°C
Hazard Codes T
Hazard Class6.1
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 105 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CTYAD8 Zhongcaoyao.  Chinese Traditional and Herbal Medicine.  (China
   International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.11-
      1980-  Volume(issue)/page/year: 17,307,1986

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 200 mg/kg
TOXIC EFFECTS :
   Liver - hepatitis (hepatocellular necrosis), zonal
   Liver - other changes
REFERENCE :
   JPBAA7 Journal of Pathology and Bacteriology.  (London, UK)  V.1-96,
   1892-1968.  For publisher information, see JPTLAS. Volume(issue)/page/year:
   76,175,1958

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 152 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JJIND8 JNCI, Journal of the National Cancer Institute.  (Washington, DC)
   V.61-79, 1978-87. For publisher information, see JNCIEQ.
   Volume(issue)/page/year: 62,911,1979

TYPE OF TEST            : Unscheduled DNA synthesis
TEST SYSTEM             : Rodent - rat Liver
DOSE/DURATION           : 10 umol/L
REFERENCE :
   ENMUDM Environmental Mutagenesis.  (New York, NY)  V.1-9, 1979-87.  For
   publisher information, see EMMUEG.  Volume(issue)/page/year: 3,11,1981

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 100 ug/plate
REFERENCE :
   ABCHA6 Agricultural and Biological Chemistry.  (Maruzen Co. Ltd., POB 5050,
   Tokyo International, Tokyo 100-31, Japan)  V.25-    1961-
   Volume(issue)/page/year: 44,3017,1980

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 100 ug/plate
REFERENCE :
   EMMUEG Environmental and Molecular Mutagenesis.  (Alan R. Liss, Inc., 41 E.
   11th St., New York, NY 10003)  V.10-    1987-  Volume(issue)/page/year:
   11(Suppl 12),1,1988

其他信息

  • 图谱信息:1-萘异硫氰酸酯(551-06-4)红外图谱(IR1) 1-萘异硫氰酸酯(551-06-4)红外图谱(IR2) 1-萘异硫氰酸酯(551-06-4)核磁图( 1 HNMR) 1-萘异硫氰酸酯(551-06-4)质谱(MS)
  • 外观性质:白色、无臭无味结晶。
  • 类别:农药
  • 毒性分级:高毒
  • 敏感性:Moisture Sensitive
  • MOL 文件:551-06-4.mol
  • 1-萘异硫氰酸酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 I0190 异硫氰酸1-萘酯 1-Naphthyl Isothiocyanate 25G 2400元 2014/06/02 I0190 异硫氰酸1-萘酯 1-Naphthyl Isothiocyanate 5G 826元 2010/06/21 128240050 1-萘异硫氰酸酯 1-Naphthyl isothiocyanate 98% 5 GR 839元
  • MSDS 信息:异硫氰酸-1-萘酯(551-06-4).msds
  • 用途一:用作分析试剂及有机合成中间体。
  • Sigma Aldrich:551-06-4(sigmaaldrich)
  • TCI Shanghai:异硫氰酸1-萘酯 1-Naphthyl Isothiocyanate,>;98.0%(GC)(551-06-4)
  • 方法一:由α-萘基硫脲在氯苯中加热回流制得。将α-萘基硫脲加入氯苯中,加热回流溶解,继续回流8h。减压回收氯苯后,冷却结晶,用已烷提取,回收已烷,得粗品,经丙酮重结晶即得成品,收率85%以上。
  • Acros Organics:1-萘基异硫氰酸酯 1-Naphthyl isothiocyanate, 98%(551-06-4)
  • 上游原料:安妥
  • 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
  • 急性毒性:口服-大鼠 LD50: 200 毫克/公斤; 口服-小鼠 LD50: 105 毫克/公斤
  • 可燃性危险特性:明火可燃; 燃烧释放有毒氮氧化物和硫氧化物烟雾
  • Alfa Aesar:1-异硫代氰酸萘基酯,98% 1-Naphthyl isothiocyanate, 98%(551-06-4)
  • 灭火剂:雾状水、泡沫、二氧化碳、砂土(禁用酸碱灭火剂)

系列性分类


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