摩熵化学
数据库官网
小程序
打开微信扫一扫
首页 分子通 化学资讯 化学百科 反应查询 关于我们
请输入关键词

Direct Brown 95 (technical grade)

中文名称
——
中文别名
——
英文名称
Direct Brown 95 (technical grade)
英文别名
copper;disodium;3-[[3-[[4-[4-[(3-carboxy-4-oxidophenyl)diazenyl]phenyl]phenyl]diazenyl]-4-hydroxy-2-oxidophenyl]diazenyl]-4-oxidobenzenesulfonate
Direct Brown 95 (technical grade)化学式
CAS
——
化学式
C31H18CuN6Na2O9S
mdl
——
分子量
760.1
InChiKey
HZBTZQVWJPRVDN-UHFFFAOYSA-J
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    -0.57
  • 重原子数:
    50
  • 可旋转键数:
    7
  • 环数:
    5.0
  • sp3杂化的碳原子比例:
    0.0
  • 拓扑面积:
    266
  • 氢给体数:
    2
  • 氢受体数:
    15

ADMET

代谢
偶氮染料在人体肠道或肝脏中可能被代谢降解成自由联苯胺或单乙酰联苯胺。/由联苯胺衍生的偶氮染料/
Benzidine derived azo dyes may be degraded metabolically in the gut or liver in man to free benzidine or monoacetylbenzidine. /Benzidine derived azo dyes/
来源:Hazardous Substances Data Bank (HSDB)
代谢
恒河猴在通过灌胃接受两种不同剂量的Direct Brown 95染料后,尿液中平均排泄出1.25%的联苯胺加上单乙酰联苯胺联苯胺部分,而纯联苯胺的灌胃则产生了1.45%。
Rhesus monkeys excreted an average of 1.25% benzidine plus monoacetylbenzidine of the benzidine moiety in Direct Brown 95 in the urine after receiving two different doses by gavage, whereas gavage with pure benzidine yielded 1.45%.
来源:Hazardous Substances Data Bank (HSDB)
代谢
根据美国国立职业安全与健康研究所(NIOSH)的初步现场研究结果表明,与这些染料直接黑38、直接棕95和直接蓝6)打交道的人类也会在尿液中排出高于预期的联苯胺平。实验室和现场研究都表明,这些由联苯胺衍生出的染料可以被代谢为联苯胺,这种物质存在于动物和人类的尿液中。
Caution is also indicated by preliminary results from the NIOSH field studies showing that humans working with these same dyes /Direct Black 38, Direct Brown 95, and Direct Blue 6/ also excrete higher than expected levels of benzidine in their urine. Both laboratory and field studies indicate that these benzidine derived dyes can be metabolized to benzidine, which is present in the urine of animals and humans.
来源:Hazardous Substances Data Bank (HSDB)
代谢
环境样本和尿液样本是在六家工厂收集的,这些工厂的工人可能暴露于基于联苯胺染料(两家基于联苯胺染料制造商,两家纺织品染色厂,一家皮革鞣染厂,以及一家纸张染色的工厂)。在一家染料制造厂,8名工人中有2人的尿液中检测到了单乙酰联苯胺平为3和7 ppb。在第二家工厂,4名工人暴露于平均浓度为7.9、5.2、11.7和17.4 mg总颗粒物/立方米的环境中,对应的尿液中联苯胺的浓度为52、11、10和112 ppb;在含有112、52和11 ppb联苯胺的尿液样本中,检测到了590、248和22 ppb单乙酰联苯胺。还检测到了微量二乙酰联苯胺、邻联甲苯胺和对联甲苯胺。其他设施的工人的尿液中没有检测到联苯胺染料中的微小杂质平无法解释尿液中发现的联苯胺及其衍生物的数量。
Environmental and urine samples were collected at six factories where workers were potentially exposed to benzidine based dyes (two benzidine based dye manufacturers, two textile dyeing plants, a leather tanning and dyeing plant and a mill where paper was dyed). Monoacetylbenzidine was detected in the urine of 2/8 workers at one of the dye manufacturing plants at levels of 3 and 7 ppb. At the second factory, 4 workers exposed to average levels of 7.9, 5.2, 11.7 and 17.4 mg total particulate/cu m had corresponding urinary concentrations of 52, 11, 10 and 112 ppb benzidine; 590, 248 and 22 ppb monoacetylbenzidine were detected in urine samples containing 112, 52 and 11 ppb benzidine. Traces of diacetylbenzidine, ortho-tolidine and ortho-dianisidine were also detected. Benzidine was not detected in the urine of workers from the other facilities. Minute levels of impurities in the dyestuffs could not account for the quantity of benzidine and its derivatives that were found in the urine samples.
来源:Hazardous Substances Data Bank (HSDB)
毒理性
  • 致癌性证据
致癌性分类:1)人类证据:不足;2)动物证据无数据。对人类致癌风险的总体评估为2A组:该物质很可能对人类致癌。/来自表格;联苯胺染料/
Classification of carcinogenicity: 1) evidence in humans: inadequate; 2) No data for evidence in animals. Overall summary evaluation of carcinogenic risk to humans is Group 2A: The agent is probably carcinogenic to humans. /From table; Benzidine-based dyes/
来源:Hazardous Substances Data Bank (HSDB)
毒理性
  • 医疗监测
尿液细胞学监测在评估染料厂工人肿瘤方面已证明是有用的。该系统包括两阶段测试:定期尿液细胞学检查,然后对可疑病例进行泌尿科检查。
Urine cytology surveillance has proved useful in evaluating tumors in dyestuff plant workers. The system consists of two-stage tests: periodic urine cytology, followed by, in suspicious cases, urological examinations.
来源:Hazardous Substances Data Bank (HSDB)
毒理性
  • 医疗监测
对于“致癌物”的预防措施:每当需要进行医疗监测时,尤其是在接触致癌物的情况下,应就.../细胞遗传学和其他/可能变得有用或强制的测试作出特别决定。/化学致癌物/
PRECAUTIONS FOR "CARCINOGENS": Whenever medical surveillance is indicated, in particular when exposure to a carcinogen has occurred, ad hoc decisions should be taken concerning ... /cytogenetic and/or other/ tests that might become useful or mandatory. /Chemical Carcinogens/
来源:Hazardous Substances Data Bank (HSDB)
毒理性
  • 人类毒性摘录
一项对接触联苯胺染料和其他染料的丝印工和画家进行的流行病学研究表明,这些接触与膀胱癌的发生有强烈关联。/联苯胺染料/
An epidemiological study of silk dyers and painters who had multiple exposure to benzidine based and other dyes indicated that those exposures were strongly associated with the occurrence of bladder cancer. /Benzidine based dyes/
来源:Hazardous Substances Data Bank (HSDB)
毒理性
  • 人类毒性摘录
在研究了200名日本膀胱癌患者的病例对照死亡率后,提出了与人类暴露于偶氮染料相关并与随后发展成膀胱肿瘤的强关联。这些患者主要是和服绘制者和染布工。和服绘制者有一个习惯,就是通过在唇间划动画笔来形成笔尖,这导致他们摄入了染料。其他几个病例对照死亡率研究也表明,在纺织和皮革工业中发展膀胱癌的风险增加,这两个行业都是直接染料的大用户。然而,关于偶氮基染料的参考文献只有少数几篇。在俄罗斯,一项关于使用偶氮基染料的纺织染布工膀胱肿瘤早期检测的医疗研究发现,膀胱病变的发生率异常,其中一些被认为具有癌前性质。这些病变中数量最多的是那些接触这些染料风险最高的工人。/偶氮染料/
A strong association relating human exposure to benzidine based dyes with the subsequent development of bladder tumors was presented after a case control mortality study of 200 bladder cancer patients in Japan. The patients were found to have been predominantly kimono painters and dyers. The kimono painters had a habit of forming a point on their brushes by drawing the brush between their lips, which allowed for ingestion of the dyes. Several other case control mortality studies indicate an increased risk of developing bladder cancer in the textile and leather industries, both large users of direct dyes. However, only a few references have been made concerning benzidine derived dyestuffs. In Russia, a medical study concerning the early detection of bladder tumors among textile dyers using benzidine derived dyes revealed an unusual incidence of bladder lesions, some of which were suggested as being of a precancerous nature. The greatest number of such lesions were found in those workers with the highest potential exposure to these dyes. /Benzidine based dyes/
来源:Hazardous Substances Data Bank (HSDB)

同类化合物

(βS)-β-氨基-4-(4-羟基苯氧基)-3,5-二碘苯甲丙醇 (S,S)-邻甲苯基-DIPAMP (S)-(-)-7'-〔4(S)-(苄基)恶唑-2-基]-7-二(3,5-二-叔丁基苯基)膦基-2,2',3,3'-四氢-1,1-螺二氢茚 (S)-盐酸沙丁胺醇 (S)-3-(叔丁基)-4-(2,6-二甲氧基苯基)-2,3-二氢苯并[d][1,3]氧磷杂环戊二烯 (S)-2,2'-双[双(3,5-三氟甲基苯基)膦基]-4,4',6,6'-四甲氧基联苯 (S)-1-[3,5-双(三氟甲基)苯基]-3-[1-(二甲基氨基)-3-甲基丁烷-2-基]硫脲 (R)富马酸托特罗定 (R)-(-)-盐酸尼古地平 (R)-(-)-4,12-双(二苯基膦基)[2.2]对环芳烷(1,5环辛二烯)铑(I)四氟硼酸盐 (R)-(+)-7-双(3,5-二叔丁基苯基)膦基7''-[((6-甲基吡啶-2-基甲基)氨基]-2,2'',3,3''-四氢-1,1''-螺双茚满 (R)-(+)-7-双(3,5-二叔丁基苯基)膦基7''-[(4-叔丁基吡啶-2-基甲基)氨基]-2,2'',3,3''-四氢-1,1''-螺双茚满 (R)-(+)-7-双(3,5-二叔丁基苯基)膦基7''-[(3-甲基吡啶-2-基甲基)氨基]-2,2'',3,3''-四氢-1,1''-螺双茚满 (R)-(+)-4,7-双(3,5-二-叔丁基苯基)膦基-7“-[(吡啶-2-基甲基)氨基]-2,2”,3,3'-四氢1,1'-螺二茚满 (R)-3-(叔丁基)-4-(2,6-二苯氧基苯基)-2,3-二氢苯并[d][1,3]氧杂磷杂环戊烯 (R)-2-[((二苯基膦基)甲基]吡咯烷 (R)-1-[3,5-双(三氟甲基)苯基]-3-[1-(二甲基氨基)-3-甲基丁烷-2-基]硫脲 (N-(4-甲氧基苯基)-N-甲基-3-(1-哌啶基)丙-2-烯酰胺) (5-溴-2-羟基苯基)-4-氯苯甲酮 (5-溴-2-氯苯基)(4-羟基苯基)甲酮 (5-氧代-3-苯基-2,5-二氢-1,2,3,4-oxatriazol-3-鎓) (4S,5R)-4-甲基-5-苯基-1,2,3-氧代噻唑烷-2,2-二氧化物-3-羧酸叔丁酯 (4S,4''S)-2,2''-亚环戊基双[4,5-二氢-4-(苯甲基)恶唑] (4-溴苯基)-[2-氟-4-[6-[甲基(丙-2-烯基)氨基]己氧基]苯基]甲酮 (4-丁氧基苯甲基)三苯基溴化磷 (3aR,8aR)-(-)-4,4,8,8-四(3,5-二甲基苯基)四氢-2,2-二甲基-6-苯基-1,3-二氧戊环[4,5-e]二恶唑磷 (3aR,6aS)-5-氧代六氢环戊基[c]吡咯-2(1H)-羧酸酯 (2Z)-3-[[(4-氯苯基)氨基]-2-氰基丙烯酸乙酯 (2S,3S,5S)-5-(叔丁氧基甲酰氨基)-2-(N-5-噻唑基-甲氧羰基)氨基-1,6-二苯基-3-羟基己烷 (2S,2''S,3S,3''S)-3,3''-二叔丁基-4,4''-双(2,6-二甲氧基苯基)-2,2'',3,3''-四氢-2,2''-联苯并[d][1,3]氧杂磷杂戊环 (2S)-(-)-2-{[[[[3,5-双(氟代甲基)苯基]氨基]硫代甲基]氨基}-N-(二苯基甲基)-N,3,3-三甲基丁酰胺 (2S)-2-[[[[[((1S,2S)-2-氨基环己基]氨基]硫代甲基]氨基]-N-(二苯甲基)-N,3,3-三甲基丁酰胺 (2S)-2-[[[[[[((1R,2R)-2-氨基环己基]氨基]硫代甲基]氨基]-N-(二苯甲基)-N,3,3-三甲基丁酰胺 (2-硝基苯基)磷酸三酰胺 (2,6-二氯苯基)乙酰氯 (2,3-二甲氧基-5-甲基苯基)硼酸 (1S,2S,3S,5S)-5-叠氮基-3-(苯基甲氧基)-2-[(苯基甲氧基)甲基]环戊醇 (1S,2S,3R,5R)-2-(苄氧基)甲基-6-氧杂双环[3.1.0]己-3-醇 (1-(4-氟苯基)环丙基)甲胺盐酸盐 (1-(3-溴苯基)环丁基)甲胺盐酸盐 (1-(2-氯苯基)环丁基)甲胺盐酸盐 (1-(2-氟苯基)环丙基)甲胺盐酸盐 (1-(2,6-二氟苯基)环丙基)甲胺盐酸盐 (-)-去甲基西布曲明 龙蒿油 龙胆酸钠 龙胆酸叔丁酯 龙胆酸 龙胆紫-d6 龙胆紫