1H-Benzotriazole 1H-苯并三唑

CAS 95-14-7 MFCD00005699

化学结构图

95-14-7
SMILES: C1CCc2[nH]nnc2C1

化学属性

Mol. FormulaC6H5N3
Mol. Weight119.12
Density1.348
Vapor Density4.1 (vs air)
Melting Point97-99°C
Vapor Pressure0.04 mmHg ( 20 °C)
Flash Point170°C
TSCAYes
Boiling Point204 °C at 15 mmHg
Stability对光敏感
Solubility25 g/l in water (20 °C)

别名和识别编码

Chemical Name1H-Benzotriazole
MDL NumberMFCD00005699
CAS Number95-14-7
EC Number202-394-1
Beilstein Registry Number112133
Synonym 1H-Benzotriazole {LY} 1H-Benzotriazole {} {LY} 1H-Benzotriazole {} {} {LY} 1H-Benzotriazole {} {} {} {LY} 1H-Benzotriazole {} {} {} {} {LY} 1H-Benzotriazole {} {} {} {} {} {LY} 1H-Benzotriazole {} {} {} {} {} {} {LY} 1H-Benzotriazole {} {} {} {} {} {} {} {LY} 1H-Benzotriazole {} {} {} {} {} {} {} {} {LY} 1H-Benzotriazole {} {} {} {} {} {} {} {} {} {LY} 1H-Benzotriazole {} {} {} {} {} {} {} {} {} {} {LY} 1H-Benzotriazole {} {} {} {} {} {} {} {} {} {} {} {LY} 1H-Benzotriazole {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1H-Benzotriazole {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1H-Benzotriazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1H-Benzotriazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1H-Benzotriazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1H-Benzotriazole {} {} {} {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID87563293
Merck Number1108
Chemical Name Translation1H-苯并三唑
Reaxys-RN112133
Wiswesser Line NotationT56 BMNNJ
LabNetwork Molecule IDLN00192901
InChIInChI=1S/C6H5N3/c1-2-4-6-5(3-1)7-9-8-6/h1-4H,(H,7,8,9)
Canonical SMILESC12=CC=CC=C1NN=N2
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分类

  • {uni_hamburg} no charge; nitrogen heterocycle; carbocycle; aromatic; large ring; fused rings; 5ring; 6ring; 9ring; 1fragment
  • {SNA} Benzotriazoles, Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks
  • {SNA} Indicators, Metal Titration Indicators, Titration, 分析/色谱, 分析试剂
  • {SNA} Analytical Reagents, Analytical/Chromatography, Indicators, Metal Titration Indicators, Titration
  • {SNA} APIs & Metabolites, APIs (Active Pharmaceutical Ingredients) & Metabolites, Additional Standards, Analytical Standards, Benzotriazole, Chromatography, Organic Pollutant Standards, Pharmaceutical Standards, Volatiles & Semivolatiles, 分析/色谱
  • {Chemicalbook} 水处理化学品: 苯并三唑

产品应用

  • 与氢氧化铵和乙二胺四乙酸合用时,能选择性地测定银、铜、锌。有机合成。

相关文献及参考

  • Short: II/24C
  • Merck: 14,1108
  • Short: II/24B
  • Merck: 14,1108 Beilstein:26,38

安全信息

Signal word Warning
GHS Symbol
WGK Germany1
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;
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
  • S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中,参考特别指示/安全收据说明书;
Risk Statements
  • R11 Highly flammable 非常易燃
  • 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
  • R20/22 Harmful by inhalation and if swallowed 吸入和不慎吞咽有害
  • 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
  • R5 Heating may cause an explosion 加热会引起爆炸
  • R52/53
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。
  • 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。
  • P301+P312+P330
  • P302+P352+P332+P313+P362+P364
  • P304+P340+P312
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P332+P313
  • 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
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H302+H332
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H412 Harmfutoaquaticlifewithlonglastingeffects 对水生生物有害并具有长期影响。
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
RTECSDM1225000
Hazard Codes Xn Xn,Xi,F
Storage condition 2-8°C {LY} 2-8°C Store at room temperature {} {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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°
UN Number 2811
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 770 gm/kg/78W-I
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Lungs, Thorax, or Respiration - tumors
   Lungs, Thorax, or Respiration - bronchiogenic carcinoma
REFERENCE :
   NCITR* National Cancer Institute Carcinogenesis Technical Report Series.
   (Bethesda, MD)  No.0-205. For publisher information, see NTPTR*.
   Volume(issue)/page/year: NCI-TR-88,1978

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 220 gm/kg/78W-I
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Brain and Coverings - tumors
REFERENCE :
   NCITR* National Cancer Institute Carcinogenesis Technical Report Series.
   (Bethesda, MD)  No.0-205. For publisher information, see NTPTR*.
   Volume(issue)/page/year: NCI-TR-88,1978

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >1 gm/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: OTS0516745

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 238 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            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1910 mg/m3/3H
TOXIC EFFECTS :
   Lungs, Thorax, or Respiration - structural or functional change in trachea
   or bronchi
   Lungs, Thorax, or Respiration - dyspnea
   Lungs, Thorax, or Respiration - other changes
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: OTS0520637

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 500 mg/kg
TOXIC EFFECTS :
   Autonomic Nervous System - other (direct) parasympathomimetic
   Behavioral - somnolence (general depressed activity)
   Lungs, Thorax, or Respiration - cyanosis
REFERENCE :
   GISAAA G

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 100 ug/plate
REFERENCE :
   IAPUDO IARC Publications.  (WHO Publications Centre USA, 49 Sheridan Ave.,
   Albany, NY 12210) No.27-    1979-  Volume(issue)/page/year: 27,283,1980

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Escherichia coli
DOSE/DURATION           : 33300 ng/plate
REFERENCE :
   ENMUDM Environmental Mutagenesis.  (New York, NY)  V.1-9, 1979-87.  For
   publisher information, see EMMUEG.  Volume(issue)/page/year: 7(Suppl
   5),1,1985

TYPE OF TEST            : Morphological transformation
TEST SYSTEM             : Rodent - rat Embryo
DOSE/DURATION           : 94 ug/plate
REFERENCE :
   JJATDK JAT, Journal of Applied Toxicology.  (John Wiley & Sons Ltd., Baffins
   Lane, Chichester, W. Sussex PO19 1UD, UK)  V.1-    1981-
   Volume(issue)/page/year: 1,190,1981

其他信息

  • MSDS 信息:苯并三氮唑(95-14-7).msds
  • 苯骈三氮唑价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 30019626 苯骈三氮唑 100g 12元 2011/04/16 B0094 1,2,3-苯并三唑 1,2,3-Benzotriazole 25G 131元 2011/04/16 B0094 1,2,3-苯并三唑 1,2,3-Benzotriazole 500G 865元
  • {Chem
  • 毒性分级:中毒
  • 外观性质:白色至亮棕褐色晶状粉末。
  • {Chemical
  • Alfa Aesar:苯并三唑,99% 1H-Benzotriazole, 99%(95-14-7)
  • 方法二:由邻苯三胺与亚硝酸钠反应而得。将邻苯二胺加入50℃水中溶解,再加入冰醋酸,降温至5℃,加入亚硝酸钠搅拌反应。反应物渐渐变成暗绿色,温度升至70-80℃,溶液变为桔红色,于室温放置2h,冷却,滤出结晶,用冰水洗涤,干燥得粗品,将粗品减压蒸馏,收集201-204℃(2.0kPa)的馏分,再用苯重结晶,可得熔点为96-97℃的产品,产率80%左右。曾有报道用亚硝酸钠处理多菌灵的缩合
  • 蒸气密度:4.1 (vs air)
  • Hazard Note:Harmful/Irritant
  • 常规方法:内衬塑料袋,外用木桶包装,也可装入玻璃瓶内。每瓶500g,20瓶装一箱。箱外注明“避光”及“密封”。贮运中防潮、防晒、隔热,保持干燥、通风良好。
  • 可加工成片状、颗粒状、粉状。在空气中氧化而逐渐变红。本品味苦、无臭。在真空中蒸馏时能发生爆炸。溶于乙醇、苯、甲苯、氯仿和N,N-二甲基甲酰胺,微溶于水。最小致死量(大鼠,经口)500mg/kg。有刺激性。
  • 图谱信息:苯骈三氮唑(95-14-7)红外图谱(IR1) 苯骈三氮唑(95-14-7)红外图谱(IR2) 苯骈三氮唑(95-14-7)质谱(MS) 苯骈三氮唑(95-14-7)核磁图( 1 HNMR) 苯骈三氮唑(95-14-7)核磁图( 13 CNMR)
  • TCI Shanghai:1,2,3-苯并三唑 1,2,3-Benzotriazole,>;98.0%(LC)(T)(95-14-7)
  • {C
  • 用途七:与氢氧化铵和乙二胺四乙酸合用时,能选择性地测定银、铜、锌。有机合成。
  • 用途一:用于防锈油(脂)类产品中,多用于铜及铜合金的气相缓蚀剂循环水处理剂,汽车防冻液,照相防雾剂,高分子稳定剂,植物生长调
  • 用途六:在电镀中用以表面纯化银、铜、锌,有防变色作用。BTA与铜原子形成共价键和配位键,相互多替成链状聚合物,在铜加表面组成多层保护膜,使铜的表面不起氧化还原反应,不发生氢气,起防蚀作用。对铅、铸铁、镍、锌等金属材料也有同样效果。BTA可与多种缓蚀剂配合,提高缓蚀效果。也可与多种阻垢剂、杀菌灭藻剂配合使用,尤其对封闭用循环冷却水系统缓蚀效果甚佳,在汽车用防冻剂乙二醇和水中,涂料中添加BTA都能挥发保护材料的作用。BTA为良好的紫外光吸收剂,对紫外光敏感的制品可起到稳定的作用,例如防止重氮染料褪色,用BTA处理纸、编织物、胶片、金属硬币等薄片制品可以防止变色。在机械加工过程中,将BTA加入研磨油、切削油中,可以使加工的铜件不变色。该品还可用作分析试剂,与氨水及二胺四乙酸合用,可用于选择性地测定银、铜、锌。也可用作摄影防灰雾剂及有机合成中间体。
  • 可燃性危险特性:可燃; 燃烧产生有毒氮氧化物烟雾
  • 类别:农药
  • 防护措施:有毒,大鼠经口MLD500mg/kg,腹腔注射LD50为1000mg/kg,静脉注射LD50为238mg/kg。设备应密闭,操作人员穿戴防护用具。
  • 下游产品:缓蚀剂 --> PBTCA类缓蚀剂 --> 阿立必利 --> 缓蚀阻垢剂 --> 防垢剂 --> N-甲基-邻甲基苯胺 --> 2-氯甲基四氢呋喃 --> 高效复合阻垢缓蚀剂 --> 5-甲基苯并三氮唑 --> W-331新型阻垢缓
  • 上游原料:乙酸 --> 亚硝酸钠 --> 苯 --> 1,2-苯二胺 --> 多菌灵 --> 桔红

系列性分类


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