1,4-Diisothiocyanato-Benzen 1,4-苯二异硫氰酸酯

CAS 4044-65-9 MFCD00004811

化学结构图

4044-65-9
SMILES: S=C=Nc1ccc(N=C=S)cc1

化学属性

Mol. FormulaC8H4N2S2
Mol. Weight192.25 g/mol
Melting Point129-131
Density1.422
TSCAYes
Solubilitychloroform: clear
Appearance powder
Stability对湿度敏感

别名和识别编码

Chemical Name1,4-Diisothiocyanato-Benzen
CAS Number4044-65-9
Alfabeta NamePHENYLENEDIISOTHIOCYANATE 14-,
MDL NumberMFCD00004811
EC Number223-741-3
Beilstein Registry Number2414340
Synonym 1,4-DIISOTHIOCYANATOBENZENE 1,4-Diisothiocyanatobenzene 1,4-Diisothiocyanatobenzene,Bitoscanate,PDITC 1,4-Phenylene Diisothiocyanate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
PubChem Substance ID19958
Merck Number1308
Reaxys-RN2414340
Chemical Name Translation1,4-苯二异硫氰酸酯
Wiswesser Line NotationSCNR DNCS
LabNetwork Molecule IDLN00159584
InChIInChI=1S/C8H4N2S2/c11-5-9-7-1-2-8(4-3-7)10-6-12/h1-4H
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分类

  • {SA} Chemical Biology, Chemical Synthesis, Peptide Chemistry, Product Analysis
  • {SNA} Amine to Amine, Chemical Biology, Chemical Synthesis, Crosslinkers, Linkers and Crosslinkers, Peptide Chemistry, Product Analysis
  • {SNA} Chemical Biology, Chemical Synthesis, Crosslinkers, Linkers and Crosslinkers, Peptide Chemistry, Product Analysis

安全信息

Warnings IRRITANT
Signal word Danger Warning
GHS Symbol
WGK Germany3
Safety Statements
  • S22 Do not breathe dust 不要吸入粉尘；
  • 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；
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
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
  • R22 Harmful if swallowed 吞咽有害
  • R34 Causes burns 会导致灼伤
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R42 May cause sensitisation by inhalation 吸入会产生过敏反应
  • R50/53
Precautionary statements
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • 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。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • 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。
  • P284 Wear respiratory protection.? 佩戴呼吸保护装置。
  • 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
  • P301+P310+P330
  • P301+P330+P331
  • P302+P352
  • P302+P352+P332+P313+P362+P364
  • P303+P361+P353
  • P304+P340
  • P304+P340+P312
  • P304+P341
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • 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。
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P337+P313
  • P342+P311
  • 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。
  • P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H301 Toxic if swallowed 吞食有毒
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • 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
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Faceshields, Gloves
RTECSNX9150000
Packing GroupIII
UN Number 2811 UN 2811 6.1/PG 3
Storage condition Moisture Sensitive -20°C 储存温度2-8℃,充氩保存
Hazard Codes 6.1 Xn Xn,Xi
Hazard Class6.1 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 230 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FAZMAE Fortschritte der Arzneimittelforschung.  Progress in Drug Research.
   (Birkhauser Boston, Inc., c/o Springer-Verlag New York, 44 Hartz Way,
   Secaucus, NJ 07094)  V.1-    1959-  Volume(issue)/page/year: 17,108,1973

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 21 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JTMHA9 Journal of Tropical Medicine and Hygiene.  (Blackwell Scientific Pub.
   Ltd., POB 88, Oxford, UK)  V.10-    1907-  Volume(issue)/page/year:
   72,253,1969

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Human
DOSE/DURATION           : 3 mg/kg
TOXIC EFFECTS :
   Behavioral - hallucinations, distorted perceptions
   Gastrointestinal - nausea or vomiting
REFERENCE :
   JTMHA9 Journal of Tropical Medicine and Hygiene.  (Blackwell Scientific Pub.
   Ltd., POB 88, Oxford, UK)  V.10-    1907-  Volume(issue)/page/year:
   72,253,1969

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 21 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FAZMAE Fortschritte der Arzneimittelforschung.  Progress in Drug Research.
   (Birkhauser Boston, Inc., c/o Springer-Verlag New York, 44 Hartz Way,
   Secaucus, NJ 07094)  V.1-    1959-  Volume(issue)/page/year: 17,108,1973

其他信息

  • TCI Shanghai:1,4-苯二异硫氰酸酯 1,4-Phenylene Diisothiocyanate,>;96.0%(T)(4044-65-9)
  • MOL 文件:4044-65-9.mol
  • Sigma Aldrich:4044-65-9(sigmaaldrich)
  • Alfa Aesar:1,4-亚苯基二硫代异氰酸酯,98% 1,4-Phenylene diisothiocyanate, 98%(4044-65-9)
  • Hazard Note:Irritant
  • 对苯二异硫氰酸酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/04/16 P1279 1,4-苯二异硫氰酸酯 1,4-Phenylene Diisothiocyanate 5G 792元 2011/04/16 P1279 1,4-苯二异硫氰酸酯 1,4-Phenylene Diisothiocyanate 25G 2760元 2010/06/21 417510050 对苯二异硫氰酸酯 p-Phenylene diisothiocyanate 99% 5 GR 1056元
  • color:white
  • Acros Organics:对苯二异硫氰酸酯 p-Phenylene diisothiocyanate, 99%(4044-65-9)
  • 对苯二异硫氰酸酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 P1279 1,4-苯二异硫氰酸酯 1,4-Phenylene Diisothiocyanate 5G 729元 2014/06/02 P1279 1,4-苯二异硫氰酸酯 1,4-Phenylene Diisothiocyanate 25G 2550元 2010/06/21 417510050 对苯二异硫氰酸酯 p-Phenylene diisothiocyanate 99% 5 GR 1056元
  • F:10-21
  • 上游原料:二硫化碳 --> 硫光气 --> 硝酸铅 --> 对苯二胺
  • Reagent for solid-phase sequencing.
  • 敏感性:Moisture Sensitive

系列性分类

  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Reagents
  3. Derivatization Reagents 衍生分析试剂
  4. Derivatization Reagents HPLC - Derivatization Reagents
  5. UV-VIS - Derivatization Reagents HPLC
  1. Chemical Synthesis 化学合成
  2. Chemical Biology 生物化学
  3. Peptide Chemistry 多肽化学
  4. Product Analysis - Peptide Chemistry
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Nitrogen Compounds 氮化合物
  5. Isocyanates - Nitrogen Compounds
  1. Chemical Synthesis 化学合成
  2. Chemical Biology 生物化学
  3. Peptide Chemistry 多肽化学
  4. Linkers - Peptide Chemistry
  5. Crosslinkers - Linkers and Crosslinkers
  1. Analytical & Chromatography 分析化学与色谱
  2. HPLC
  3. Derivatization Reagents
  4. HPLC Derivatization Reagents, by Application
  5. Thiols
  1. Analytical & Chromatography 分析化学与色谱
  2. Derivatization Reagents
  3. Derivatization Reagents HPLC
  4. HPLC Derivatization Reagents, by Application
  5. Thiols
  1. Functional Group 官能团索引
  2. isothiocyanate

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