CAS 95-14-7 MFCD00005699-1H-Benzotriazole 1H-苯并三唑 -LabNovo

1H-Benzotriazole 1H-苯并三唑

CAS 95-14-7 MFCD00005699

化学结构图

SMILES: C1CCc2[nH]nnc2C1

化学属性

Mol. Formula	C6H5N3
Mol. Weight	119.12
Density	1.348
Vapor Density	4.1 (vs air)
Melting Point	97-99°C
Vapor Pressure	0.04 mmHg ( 20 °C)
Flash Point	170°C
TSCA	Yes
Boiling Point	204 °C at 15 mmHg
Stability	对光敏感
Solubility	25 g/l in water (20 °C)

别名和识别编码

Chemical Name	1H-Benzotriazole
MDL Number	MFCD00005699
CAS Number	95-14-7
EC Number	202-394-1
Beilstein Registry Number	112133
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 ID	87563293
Merck Number	1108
Chemical Name Translation	1H-苯并三唑
Reaxys-RN	112133
Wiswesser Line Notation	T56 BMNNJ
LabNetwork Molecule ID	LN00192901
InChI	InChI=1S/C6H5N3/c1-2-4-6-5(3-1)7-9-8-6/h1-4H,(H,7,8,9)
Canonical SMILES	C12=CC=CC=C1NN=N2

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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。

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

1H-Benzotriazole 1H-苯并三唑

CAS 95-14-7 MFCD00005699

化学结构图

化学属性

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化学结构图

化学属性

别名和识别编码

分类

产品应用

相关文献及参考

安全信息

其他信息

系列性分类

相关产品推荐

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