Benzothiazole 苯并噻唑

CAS 95-16-9 MFCD00005775

化学结构图

95-16-9
SMILES: c1ccc2scnc2c1

化学属性

Mol. FormulaC7H5NS
Mol. Weight135
Density1.238
Refractive index1.6390 to 1.6450
Vapor Density4.66 (vs air)
Boiling Point231°C(lit.)
Vapor Pressure34 mmHg ( 131 °C)
Melting Point2
Flash Point107°C(lit.)
SolubilitySlightly soluble in water. Soluble in alcohol, carbon disulfide
TSCAYes
Stability对光敏感
Appearance 无色液体,呈喹啉似气味。熔点2℃,沸点233~235℃,闪点≥100℃。相对密度(d )1.6439。几不溶于水;溶于乙醇、丙酮和二硫化碳。 D 20 4 )1.2460,折射率(n

别名和识别编码

Chemical NameBenzothiazole
CAS Number95-16-9
Synonym benzthiazole vangardbt LABOTEST-BB LT01409601 NSC 8040 Benzothiazote Benzosulfonazole FEMA 3256 5-Benzothiazole boronic acid pinacol ester Benzothiazol Vangard BT o-2857 1,3-BENZOTHIAZOLE Benzthiazole usafek-4812 Benzothiazole ,99% 苯并噻唑 o-2857 FEMA NUMBER 3256 Benzothiazole (6CI,8CI,9CI) benzothiazole O-2857 1,3-硫氮杂茚 1-Thia-3-azaindene Usaf ek-4812 间氮硫杂茚 苯硫氮醇 1,3-硫氮杂茚,间氮硫杂茚 BENZOTHIAZOLE 96+% benzo-1,3-thiazole 苯并噻唑,97% Benzo[d]thiazole benzo(b)thiazole Benzothiazole,97% BENZOTHIAZOLE 苯并噻唑; 1,3-硫氮杂茚 USAF ek-4812 USAF EK-4812
MDL NumberMFCD00005775
EC Number202-396-2
Beilstein Registry Number27(2)17
PubChem Substance ID87563291
Merck Number1107
Reaxys-RN109468
Chemical Name Translation苯并噻唑
Wiswesser Line NotationT56 BN DSJ
LabNetwork Molecule IDLN00008107
InChIInChI=1S/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5H
信息真实价格透明    资金保障    专业采购外包团队在线服务   
信息真实价格透明    资金保障    专业采购外包团队在线服务   
品牌质保精细包装    现货库存    一流品牌服务   

分类

  • {Chemicalbook} 食品添加剂: 食用香料(增香剂): 天然等同香料和人造香
  • {SNA} A-B, Alphabetical Listings,
  • Sulfur & Selenium Compounds
  • {SNA} A-B,
  • Heterocycles
  • {SNA} Building Blocks, C3 to C7, Carthamus tinctorius (Safflower oil), Chemical Synthesis, Heterocyclic Building Blocks, Phytochemicals by Plant (Food/Spice/Herb), Thiazoles, 细胞生物学, 营养研究
  • {SNA} Building Blocks, C3 to C7, Carthamus tinctorius (Safflower oil), Chemical Synthesis,
  • {SNA} Building Blocks, C3 to C7, Carthamus tinctorius (Safflower oil), Cell Biology, Chemical Synthesis, Heterocyclic Building Blocks, Nutrition Research, Phytochemicals by Plant (Food/Spice/Herb), Thiazoles
  • Aromatics
  • {SNA} A-B,

产品应用

  • 用作照相材料;有机合成中间体,也可用为农业植物资源研究的试剂。

相关文献及参考

  • {
  • Short: II/27C
  • The lithio-derivative can also be acylated with esters, lactones, amides or nitriles. In these applications, benzothiazole is claimed to be superior to the better known 1,3-dithiane as a formyl anion synthon.
  • Short: III/38B
  • Porsolt, R., et al.: Nature, 266, 730 (1977),
  • Foster, J., et al.: Bioorg. Med. Chem., 7, 2415 (1999),
  • Reaction of the lithio-derivative at low temperatures with PCl3 gives, as the major product, 2,2'-bibenzothiazole instead of the expected tertiary phosphine: Heterocycles, 30, 347 (1990). POCl3 or SOCl2 also promote the symmetrical coupling reaction: Heteroatom. Chem., 5, 409 (1994).
  • Beilstein:27(2)17
  • See also 2-(Trimethyl­silyl)­benzothiazole, L11625, and 2-(Trimethyl­silyl)­thiazole, B21903.
  • Caliendo, G., et al.: Eur. J. Med. Chem., 36, 517 (2001),
  • n-BuLi gives the 2-lithio-derivative, stable below -50o, which behaves as a formyl anion equivalent, reacting with aldehydes and ketones. The derived alcohols have been transformed into various useful products, e.g. ɑ-hydroxy ketones: Tetrahedron Lett., 5, 9, 13, (1978); Bull. Chem. Soc. Jpn., 61, 3637 (1988):

安全信息

Signal word Danger
GHS Symbol
WGK Germany2
Safety Statements
  • 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;
  • 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;
  • S23 Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) 不要吸入气体/烟雾/蒸汽/喷雾;
  • S36 Wear suitable protective clothing 穿戴适当的防护服;
  • 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
  • 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
  • R24 Toxic in contact with skin 与皮肤接触有毒
  • R25 Toxic if swallowed 吞咽有毒
  • R20 Harmful by inhalation 吸入有害
  • R36 Irritating to eyes 刺激眼睛
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R22 Harmful if swallowed 吞咽有害
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。
  • 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。
  • P281 Use personal protective equipment as required. 使用所需的个人防护装备。
  • P301+P310
  • P301+P312+P330
  • P302+P352+P312+P361+P364
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P311 Call a POISON CENTER or doctor/physician. 呼叫解毒中心或医生/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。
  • P332+P313
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H301+H311
  • H301+H311+H331
  • H302 Harmful if swallowed 吞食有害
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H332 Harmful if inhaled 吸入有害
  • H412 Harmfutoaquaticlifewithlonglastingeffects 对水生生物有害并具有长期影响。
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSDL0875000
Packing GroupIII
UN Number 2810 UN2810
Hazard Codes T Xn
Storage condition 密封避光保存。
Hazard Class6.1
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Mammal - cat
DOSE/DURATION           : 100 mg/kg
TOXIC EFFECTS :
   Vascular - regional or general arteriolar or venous dilation
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Baltimore, MD 21202)  V.1-    1909/10-
   Volume(issue)/page/year: 45,189,1932

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 200 mg/kg
TOXIC EFFECTS :
   Behavioral - food intake (animal)
   Lungs, Thorax, or Respiration - pulmonary emboli
   Liver - other changes
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: OTS0534825

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 95 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Baltimore, MD 21202)  V.1-    1909/10-
   Volume(issue)/page/year: 105,486,1952

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 100 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: AD27

其他信息

  • 储运特性:通风低温干燥; 与库房食品原料分开存放
  • 下游产品:碱性黄24 --> 直接耐晒黄5GL --> 6-氨基苯并噻唑 --> 普拉克索 --> 直接耐晒黄RR
  • 急性毒性:口服-大鼠 LD50; 466 毫克/公斤; 口服-小鼠 LD50: 900 毫克/公斤
  • Sigma Aldrich:95-16-9(sigmaaldrich)
  • 检测方法:GC
  • 可燃性危险特性:可燃; 燃烧产生有毒氮氧化物, 硫氧化物和氰化物烟雾
  • FEMA:3256
  • 用途三:用作照相材料、有机合成中间体,也可用为农业植物资源研究的试剂。
  • 灭火剂:干粉,泡沫,沙土,二氧化碳, 雾状水
  • 类别:有毒物品
  • 方法一:由邻氨基苯基硫化锌与甲酸的混合物回流加热后,反应产物进行水蒸气蒸馏而得。 由甲酰替苯胺或二甲基苯胺与硫一起加热而成。 由2-巯基苯并噻唑或相应的二硫化物进行氧化反应而得。
  • Acros Organics:苯并噻唑 Benzothiazole, 97%(95-16-9)
  • 用途四:用作照相材料;有机合成中间体,也可用为农业植物资源研究的试剂。
  • 蒸气密度:4.66 (vs air)
  • MOL 文件:95-16-9.mol
  • MSDS 信息:Benzothiazole(95-16-9).msds
  • 毒性:GRAS(FEMA)。
  • Alfa Aesar:苯并噻唑,97% Benzothiazole, 97%(95-16-9)
  • 苯并噻唑价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 30019581 苯并噻唑;间氮硫杂茚;1,3-硫氮杂茚 50ml 69元 2011/08/23 30019580 苯并噻唑;间氮硫杂茚;1,3-硫氮杂茚 50ml 69元 2011/04/16 B0092 苯并噻唑 Benzothiazole 25ML 146元
  • 海关编码:29342080
  • 有特殊气体,溶于醇和二硫化碳,微溶于水,露光颜色逐渐变深。能随水蒸气挥发,具中性反应,似唑啉气味。
  • 蒸气压:34 mm Hg ( 131 °C)
  • 使用限量:FEMA(mg/kg):软饮料、糖果、焙烤食品、肉制品、肉羹汤、乳与乳制品,均0.5。
  • 食品添加剂最大允许使用量最大允许残留量标准:添加剂中文名称 允许使用该种添加剂的食品中文名称 添加剂功能 最大允许使用量(g/kg) 最大允许残留量(g/kg) 苯并噻唑 食品 食品用香料 用于配制香精的各香料成分不得超过在GB 2760中的最大允许使用量和最大允许残留量
  • 用途一:用作照相材料,也用于有机合成及农业植物资源的研究
  • 毒性分级:高毒
  • 图谱信息:苯并噻唑(95-16-9)红外图谱(IR1) 苯并噻唑(95-16-9)红外图谱(IR2) 苯并噻唑(95-16-9)质谱(MS) 苯并噻唑(95-16-9)核磁图( 13 CNMR) 苯并噻唑(95-16-9)核磁图( 1 HNMR)
  • 用途二:GB 2760--1996规定为允许使用的食品用香料。
  • 上游原料:N,N-二甲基苯胺 --> N-甲基苯胺 --> 硝酸铵 --> 2-巯基苯并噻唑 --> 二硫化钼 --> 硫化锌
  • 方法二:由N,N-二甲基苯胺与硫磺反应而得。将N,N-二甲基苯胺和硫磺一起加热回流,反应8h后蒸馏。收集200-260℃馏分,将其溶于浓盐酸中,过滤。向滤液加入硝酸铵水溶液,析出苯并噻唑硝酸盐,过滤后将滤饼溶于水中,加氨水至碱性,析出结晶,过滤干燥后减压蒸馏,收集131℃(4.53kPa)馏分即得成品。
  • TCI Shanghai:苯并噻唑 Benzothiazole,>;96.0%(GC)(95-16-9)

系列性分类


相关产品推荐