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苯并三氮唑

苯并三氮唑用途

1H-苯并[d][1,2,3]三唑是一种生物化学试剂,可作为生物材料或有机化合物用于生命科学相关研究。
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苯并三氮唑名称

[ CAS 号 ]:
95-14-7

[ 中文名 ]:
苯三氮唑

[ 英文名 ]:
1H-Benzotriazole

[中文别名 ]:

[英文别名 ]:

苯并三氮唑生物活性

[ 描述 ]:

1H-苯并[d][1,2,3]三唑是一种生物化学试剂,可作为生物材料或有机化合物用于生命科学相关研究。

[ 相关类别 ]:

研究领域 >> 其他

[体外研究]

1、2、3-苯并三唑是一种含有三个氮原子的杂环化合物,化学式为C6H5N3这种芳香族化合物是无色和极性的,可用于各种领域。

苯并三氮唑物理化学性质

[ 密度 ]:
1.3±0.1 g/cm3

[ 沸点 ]:
204 ºC (15 mmHg)

[ 熔点 ]:
97-99 °C(lit.)

[ 分子式 ]:
C6H5N3

[ 分子量 ]:
119.12

[ 闪点 ]:
170 ºC

[ 精确质量 ]:
119.048347

[ PSA ]:
41.57000

[ LogP ]:
1.34

[ 外观性状 ]:
白色至淡黄褐色的晶体或白色粉末

[ 蒸汽密度 ]:
4.1 (vs air)

[ 蒸汽压 ]:
0.0±0.8 mmHg at 25°C

[ 折射率 ]:
1.715

[ 储存条件 ]:
通风低温干燥

[ 稳定性 ]:
Stable, but may be light sensitive. Incompatible with strong oxidizing agents, heavy metals.

[ 水溶解性 ]:
25 g/l in water (20 ºC)

苯并三氮唑MSDS

苯并三氮唑毒性和生态

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DM1225000
CHEMICAL NAME :
1H-Benzotriazole
CAS REGISTRY NUMBER :
95-14-7
BEILSTEIN REFERENCE NO. :
0112133
LAST UPDATED :
199710
DATA ITEMS CITED :
21
MOLECULAR FORMULA :
C6-H5-N3
MOLECULAR WEIGHT :
119.14
WISWESSER LINE NOTATION :
T56 BMNNJ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
560 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
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
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
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
615 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
400 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
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
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
450 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
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
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
109 mg/kg/26W-I
TOXIC EFFECTS :
Endocrine - other changes Blood - normocytic anemia Blood - leukopenia
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
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

MUTATION DATA

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 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 5 mg/m3;Skin JAN 1993 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 82113 No. of Facilities: 1661 (estimated) No. of Industries: 23 No. of Occupations: 33 No. of Employees: 5550 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 82113 No. of Facilities: 17143 (estimated) No. of Industries: 144 No. of Occupations: 107 No. of Employees: 279549 (estimated) No. of Female Employees: 40869 (estimated)
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苯并三氮唑安全信息

[ 符号 ]:

GHS07

[ 信号词 ]:
Warning

[ 危害声明 ]:
H302 + H332-H319-H412

[ 警示性声明 ]:
P273-P305 + P351 + P338

[ 个人防护装备 ]:
dust mask type N95 (US);Eyeshields;Gloves

[ 危害码 (欧洲) ]:
F:Flammable

[ 风险声明 (欧洲) ]:
R11;R20/21/22;R36/37/38;R5

[ 安全声明 (欧洲) ]:
S26-S36/37-S61-S45-S36/37/39-S28A

[ 危险品运输编码 ]:
2811

[ WGK德国 ]:
1

[ RTECS号 ]:
DM1225000

[ 海关编码 ]:
2933990090

苯并三氮唑合成路线

苯并三氮唑上下游产品

苯并三氮唑制备

1.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废水而得副产物苯并三氮唑。

2.邻苯二胺重氮化法。将邻苯二胺重氮化,再在乙酸中环合制得粗苯并三唑,再重结晶法精制、真空干燥,即可制得较纯的苯并三唑。

3.邻苯二胺法 邻苯二胺法是最经典的合成苯并三氮唑的方法,它包括邻苯二胺常压合成法和经过改进的邻苯二胺高压法。
①邻苯二胺常压法 先将邻苯二胺溶于醋酸水溶液中,并配制40%左右的亚硝酸钠水溶液。两种溶液预冷至1~5℃后混合反应,并保持在冰浴中,随后迅速升温至80℃闭环生成苯并三氮唑,冷却后过滤、水洗得到粗产品。在绝对压力为2000Pa下蒸馏,收集2.0~204℃的馏分,用苯结晶得到产品,收率为70%~80%。另一生产实例为:将邻苯二胺加入50℃水溶液中溶解,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℃,溶液变成橘红色,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,产率约80%。

②邻苯二胺高压法 邻苯二胺与亚硝酸钠的投料摩尔比为1∶(1~1.05),反应温度为200~300℃,压力为4.8×106~6.9×106Pa。反应完毕后,用酸调pH值为6。由于重氮化闭环反应没有酸参加,所以减少了重氮偶合产生深颜色焦油状物的机会,从而提高了产品的收率,同时使产品的纯化变得容易。例如,邻苯二胺同37%的亚硝酸钠水溶液,在温度为260℃、压力为3.0×106~3.3×106Pa条件下,反应3h后冷却,用浓硫酸将Pa值从11.7调到6,得到纯度为100%、收率为96.9%的苯并三氮唑。

4.苯并咪唑酮法 苯并咪唑酮与亚硝酸钠水溶液在190℃、高压下反应75min,经酸化、水洗、干燥,获得产品,收率为85.3%。

5.邻硝基苯肼法 邻硝基苯肼在氨水、异丙醇和己二醇混合水溶液中,在140℃和高压下反应1.5h,生成1-羟基苯并三氮唑(HBTA)。用铜三氧化二铬作催化剂,按照92∶8比例通入氢气和氮气,在160~170℃和高压下脱氧加氢反应1h,HBTA脱氧加氢生成BTA,最终苯并三氮唑的收率为89%。反应式如下:


6.邻硝基氯苯法 先由邻硝基氯苯与水合肼直接合成HBTA,然后脱氧加氢生成BTA,最高总收率可达8.6%。此法优点是收率高、中间环节少,是一种很有前途而且十分重要的方法。

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苯并三氮唑海关

[ 海关编码 ]: 2933990090

[ 中文概述 ]:
2933990090. 其他仅含氮杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%

[ 申报要素 ]: 品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期

[ Summary ]:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

苯并三氮唑文献

Benzothiazole, benzotriazole, and their derivates in clothing textiles--a potential source of environmental pollutants and human exposure.

Environ. Sci. Pollut. Res. Int. 22(8) , 5842-9, (2015)

Textiles play an important role in our daily life, and textile production is one of the oldest industries. In the manufacturing chain from natural and/or synthetic fibers to the final clothing product...

Analysis of endocrine disrupters and related compounds in sediments and sewage sludge using on-line turbulent flow chromatography-liquid chromatography-tandem mass spectrometry.

J. Chromatogr. A. 1352 , 29-37, (2014)

A novel fully automated method based on dual column switching using turbulent flow chromatography followed by liquid chromatography coupled to tandem mass spectrometry (TFC-LC-MS/MS) was applied for t...

A multi-residue method for determination of 70 organic micropollutants in surface waters by solid-phase extraction followed by gas chromatography coupled to tandem mass spectrometry.

Environ. Sci. Pollut. Res. Int. 22(2) , 1095-112, (2015)

A multi-residue method, based on gas chromatography coupled to tandem mass spectrometry (GC-MS/MS), has been developed for the determination of 70 organic micropollutants from various chemical classes...


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