1-Phenyltetrazole-5-Thiol 5-疏基-1-苯基-四氮唑

CAS 86-93-1 MFCD00003129

化学结构图

86-93-1
SMILES: S=c1nn[nH]n1-c1ccccc1

化学属性

Mol. FormulaC7H6N4S
Mol. Weight178.21
Density1.422
Melting Point145°C
Flash Point138°(280°F)
TSCAYes
Appearance 白色结晶。熔点为150℃（分解）。溶于乙醇、氯仿、四氯化碳。
Boiling Point342 °C at 760 mmHg

别名和识别编码

Chemical Name1-Phenyltetrazole-5-Thiol
Synonym 1-Phenyl-1,2-dihydro-5H-tetrazole-5-thione {LY} 1-Phenyl-1,2-dihydro-5H-tetrazole-5-thione {} {LY} 1-Phenyl-1,2-dihydro-5H-tetrazole-5-thione {} {} {LY} 1-Phenyl-1,2-dihydro-5H-tetrazole-5-thione {} {} {} {LY} 1-Phenyl-1,2-dihydro-5H-tetrazole-5-thione {} {} {} {} {LY} 1-Phenyl-1,2-dihydro-5H-tetrazole-5-thione {} {} {} {} {} {LY} 1-Phenyl-1,2-dihydro-5H-tetrazole-5-thione {} {} {} {} {} {} {LY} 1-Phenyl-1,2-dihydro-5H-tetrazole-5-thione {} {} {} {} {} {} {} {LY} 1-Phenyl-1,2-dihydro-5H-tetrazole-5-thione {} {} {} {} {} {} {} {} {LY} 1-Phenyl-1,2-dihydro-5H-tetrazole-5-thione {} {} {} {} {} {} {} {} {} {LY} 1-Phenyl-1,2-dihydro-5H-tetrazole-5-thione {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {LY} 1-Phenyl-1,2-dihydro-5H-tetrazole-5-thione {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Phenyl-1,2-dihydro-5H-tetrazole-5-thione {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Phenyl-1,2-dihydro-5H-tetrazole-5-thione {} {} {} {}
MDL NumberMFCD00003129
CAS Number86-93-1
EC Number201-710-5
Beilstein Registry Number26,409
PubChem Substance ID690730
Chemical Name Translation5-疏基-1-苯基-四氮唑
Reaxys-RN609354
Wiswesser Line NotationT5NNNNJ AR& ESH
LabNetwork Molecule IDLN00194707
InChIInChI=1S/C7H6N4S/c12-7-8-9-10-11(7)6-4-2-1-3-5-6/h1-5H,(H,8,10,12)
Canonical SMILESS=C1N=NNN1C2=CC=CC=C2
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分类

  • {SNA} Spectroscopy, UV/Vis Reagents, UV/Visible (UV/VIS) Spectroscopy, 分析/色谱, 分析试剂
  • {SNA} Analytical Reagents, Analytical/Chromatography, Spectroscopy, UV/Vis Reagents, UV/Visible (UV/VIS) Spectroscopy
  • {SNA} Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks, Tetrazoles

相关文献及参考

  • In combination with t-butyl isocyanide, promotes the lactonization of long-chain hydroxy acids: Angew. Chem. Int. Ed., 20, 771 (1981).

安全信息

Signal word Danger
GHS Symbol
WGK Germany1
Safety Statements
  • S22 Do not breathe dust 不要吸入粉尘；
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
  • 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；
  • S36/37/39 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；
Risk Statements
  • R11 Highly flammable 非常易燃
  • R22 Harmful if swallowed 吞咽有害
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R44 Risk of explosion if heated under confinement 密封下加热有爆炸危险
  • R5 Heating may cause an explosion 加热会引起爆炸
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。
  • 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。
  • 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。
  • P272 Contaminated work clothing should not be allowed out of the workplace. 污染的工作服不得带出工作场所。
  • 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。
  • P301+P312
  • P301+P312+P330
  • P302+P352
  • P305+P351+P338
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • P333+P313
  • P337+P313
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P370+P378
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H228 Flammable solid 易燃固体
  • H302 Harmful if swallowed 吞食有害
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H413 Maycauselonglastingharmfuleffectstoaquaticlife 可能对水生生物造成长期持续有害影响。
RTECSXF7700000
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Packing GroupII
UN Number 1325 UN1325
Storage condition 2-8°C {LY} 2-8°C Air Sensitive {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
Hazard Codes 4.1 Xn
Hazard Class4.1 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1750 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: 24(1),55,1980

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 250 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: AD691-490

其他信息

  • Sigma Aldrich:86-93-1(sigmaaldrich)
  • 5-疏基-1-苯基-四氮唑价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 P0640 1-苯基-5-巯基-1H-四唑 1-Phenyl-5-mercapto-1H-tetrazole 500G 3770元 2014/06/02 P0640 1-苯基-5-巯基-1H-四唑 1-Phenyl-5-mercapto-1H-tetrazole 25G 416元 2010/05/25 A12656 1-苯基-1H-四唑-5-硫醇, 99% 1-Phenyl-1H-tetrazole-5-thiol, 99% 25g 372元
  • 上游原料:叠氮化钠 --> 硫代异氰酸苯酯
  • 图谱信息:5-疏基-1-苯基-四氮唑(86-93-1)核磁图( 1 HNMR) 5-疏基-1-苯基-四氮唑(86-93-1)红外图谱(IR2) 5-疏基-1-苯基-四氮唑(86-93-1)质谱(MS) 5-疏基-1-苯基-四氮唑(86-93-1)红外图谱(IR1) 5-疏基-1-苯基-四氮唑(86-93-1)核磁图( 13 CNMR)
  • 敏感性:Air Sensitive
  • TCI Shanghai:1-苯基-5-巯基-1H-四唑 1-Phenyl-5-mercapto-1H-tetrazole,>;98.0%(LC)(T)(86-93-1)
  • 检测方法:T,NMR
  • 方法一:由异硫氰酸苯酯与叠氮化钠反应而得。将150ml水、67.5g异硫氰酸苯酯和9.8g叠氮化钠搅拌混合，回流反应至澄清为止，约需5-6h。经冷却，过滤得1-苯基四氮唑-5-硫醇钠盐（1-Phenyl-1H-tetrazole-5-thiol sodium salt [15052-19-4]）将钠盐（滤液）用盐酸酸化至pH值为2，析出白色固体。滤出结晶，用水洗涤，烘干得粗品；用稀乙醇重结晶，得成品，收率在90%以上。
  • 用途一:用作感光材料的稳定剂、医药中间体
  • F:4.10
  • 海关编码:29339990
  • 用途二:该品为照相防灰剂，也用作试剂及驱虫药的中间体。
  • MSDS 信息:1-Phenyltetrazole-5-thiol(86-93-1).msds
  • 下游产品:(6R,7R)-3-[[(1-甲基-1H-四唑-5-基)硫]甲基]-7-[(R)-2-(4-乙基-2,3-二氧代-1-哌嗪甲酰氨基)-2-对羟基苯基-乙酰氨基]-8-氧代-5-硫杂-1-氮杂双环[4.2.0]辛-2-烯-2-甲酸 --> 头孢唑啉 --> 头孢唑啉钠
  • MOL 文件:86-93-1.mol
  • Alfa Aesar:1-苯基-1H-四唑-5-硫醇,99% 1-Phenyl-1H-tetrazole-5-thiol, 99%(86-93-1)
  • Hazard Note:Flammable

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Tetrazoles 四唑
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Reagents
  3. Spectroscopy - Analytical Reagents
  4. UV/Visible (UV/VIS) Spectroscopy - 紫外/可见吸收光谱
  5. UV/Vis Reagents - UV/Visible (UV/VIS) Spectroscopy
  1. Analytical & Chromatography 分析化学与色谱
  2. HPLC
  3. Analytical Reagents

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