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5-硝基-2-溴吡啶 | 3618-72-2

中文名称
5-硝基-2-溴吡啶
中文别名
分散蓝79:1;2,2'-((5-乙酰胺基-4-((2-溴-4,6-二硝基苯基)偶氮)-2-甲氧基苯基)亚氨)二乙基二乙酸酯;2,2'-[[5-乙酰氨基-4-[(2-氯-4,6-二硝基苯基)偶氮]-2-甲氧基苯基]亚氨基]二乙基二乙酸酯;2,2"-((5-乙酰胺基-4-((2-溴-4,6-二硝基苯基)偶氮)-2-甲氧基苯基)亚氨)二乙基二乙酸酯;分散蓝 79:1
英文名称
2-[(2-bromo-4,6-dinitrophenyl)azo]-5-[bis(2-acetoxyethyl)amino]-4-methoxyacetanilide
英文别名
Disperse Blue 79:1;2,2'-({5-acetamido-4-[(2-bromo-4,6-dinitrophenyl)azo]-2-methoxyphenyl}imino)diethyl diacetate;C.I. Disperse Blue 79:1;2-[5-acetamido-N-(2-acetyloxyethyl)-4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-2-methoxyanilino]ethyl acetate
5-硝基-2-溴吡啶化学式
CAS
3618-72-2
化学式
C23H25BrN6O10
mdl
——
分子量
625.39
InChiKey
JSRUDOBCTLPTFO-UHFFFAOYSA-N
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

物化性质

  • 熔点:
    149-151 °C
  • 沸点:
    796.7±60.0 °C(Predicted)
  • 密度:
    1.55
  • LogP:
    1.63 at 20℃
  • 物理描述:
    DryPowder

计算性质

  • 辛醇/水分配系数(LogP):
    3.1
  • 重原子数:
    40
  • 可旋转键数:
    13
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.35
  • 拓扑面积:
    211
  • 氢给体数:
    1
  • 氢受体数:
    13

SDS

SDS:cb2aeba9a3e8d80ea3d713ed5767213f
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反应信息

  • 作为反应物:
    参考文献:
    名称:
    Synthesis of 2-phenylbenzotriazole-type mutagens, PBTA-5 and PBTA-6, and their detection in river water from Japan
    摘要:
    We previously determined the chemical structures of four 2-phenylbenzotriazole mutagens (PBTA-1, -2, -3 and -4) in blue rayon-adsorbed material from the Nishitakase River in Kyoto prefecture and the Nikko River in Aichi prefecture in Japan. On the basis of a synthesis study, these four PBTA derivatives were deduced to have originated from corresponding dinitrophenylazo dyes by reduction and chlorination. 2-[(2-Bromo-4,6-dinitrophenyl)azo]-5-[bis(2-acetoxyethyl) amino] -4-methoxyacetanilide (Color Index Name, Disperse Blue 79:1; CAS Registry Number, 75497-74-4) is a very common dinitrophenylazo dye used in textile dyeing factories. In the present study, we synthesized 2-[4-[bis(2-acetoxyethyl)amino]-2(acetylamino)-5-methoxyphenyl]-5-amino-7-bromo-4-chloro-2H-benzotriazole (PBTA-5) from Disperse Blue 79:1 by reduction with sodium hydrosulfite and subsequent chlorination with sodium hypochlorite. On hydrolysis of PBTA-5 with alkali, 2-[2-(acetylamino)-4-[bis(2-hydroxyethyl)amino]-5-methoxyphenyl]-5-amino-7-bromo-4-chloro-2H-benzotriazole (PBTA-6) was obtained. Both PBTA-5 and -6 were potent mutagens, inducing 723,000 revertants and 485,000 revertants per microgram of Salmonella typhimurium YG1024, respectively, in the presence of S9 mix. To clarify whether PBTA-5 and -6 exist in the environment, water samples were collected from five rivers flowing through regions where textile dyeing industries are developed. PBTA-6 was detected at levels of 3-134 ng/g blue rayon in all water samples that were examined. On the other hand, the amount of PBTA-5 in the samples was less than the detection limit. (C) 2001 Elsevier Science B.V. All rights reserved.
    DOI:
    10.1016/s1383-5718(01)00273-x
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文献信息

  • Synthesis of 2-phenylbenzotriazole-type mutagens, PBTA-5 and PBTA-6, and their detection in river water from Japan
    作者:Tetsushi Watanabe、Haruo Nukaya、Yoshiyasu Terao、Yoshifumi Takahashi、Atsuko Tada、Takeji Takamura、Hiroyuki Sawanishi、Takeshi Ohe、Teruhisa Hirayama、Takashi Sugimura、Keiji Wakabayashi
    DOI:10.1016/s1383-5718(01)00273-x
    日期:2001.11
    We previously determined the chemical structures of four 2-phenylbenzotriazole mutagens (PBTA-1, -2, -3 and -4) in blue rayon-adsorbed material from the Nishitakase River in Kyoto prefecture and the Nikko River in Aichi prefecture in Japan. On the basis of a synthesis study, these four PBTA derivatives were deduced to have originated from corresponding dinitrophenylazo dyes by reduction and chlorination. 2-[(2-Bromo-4,6-dinitrophenyl)azo]-5-[bis(2-acetoxyethyl) amino] -4-methoxyacetanilide (Color Index Name, Disperse Blue 79:1; CAS Registry Number, 75497-74-4) is a very common dinitrophenylazo dye used in textile dyeing factories. In the present study, we synthesized 2-[4-[bis(2-acetoxyethyl)amino]-2(acetylamino)-5-methoxyphenyl]-5-amino-7-bromo-4-chloro-2H-benzotriazole (PBTA-5) from Disperse Blue 79:1 by reduction with sodium hydrosulfite and subsequent chlorination with sodium hypochlorite. On hydrolysis of PBTA-5 with alkali, 2-[2-(acetylamino)-4-[bis(2-hydroxyethyl)amino]-5-methoxyphenyl]-5-amino-7-bromo-4-chloro-2H-benzotriazole (PBTA-6) was obtained. Both PBTA-5 and -6 were potent mutagens, inducing 723,000 revertants and 485,000 revertants per microgram of Salmonella typhimurium YG1024, respectively, in the presence of S9 mix. To clarify whether PBTA-5 and -6 exist in the environment, water samples were collected from five rivers flowing through regions where textile dyeing industries are developed. PBTA-6 was detected at levels of 3-134 ng/g blue rayon in all water samples that were examined. On the other hand, the amount of PBTA-5 in the samples was less than the detection limit. (C) 2001 Elsevier Science B.V. All rights reserved.
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同类化合物

黑洞猝灭剂-2,BHQ-2ACID 麦角甾烷-6-酮,2,3,22,23-四羟基-,(2a,3a,5a,22S,23S,24S)- 颜料橙61 阿利新黄GXS 阳离子红X-GTL 阳离子红5BL 阳离子橙RN 阳离子橙GLH 间甲基红 镨(3+)丙烯酰酸酯 镍酸酯(1-),[3-羟基-4-[(4-甲基-3-硫代苯基)偶氮]-2-萘羧酸根(3-)]-,氢 钴,[二[m-[[1,2-二苯基-1,2-乙二酮1,2-二(肟酸根-kO)](2-)]]四氟二硼酸根(2-)-kN1,kN1',k2,kN2']-,(SP-4-1)- 钠5-氯-2-羟基-3-[(2-羟基-4-{[(4-甲基苯基)磺酰基]氧基}苯基)偶氮]苯磺酸酯 钠5-[[3-[[5-[[4-[[[4-[(4,5-二氢-3-甲基-5-氧代-1H-吡唑-4-基)偶氮]苯基]氨基]羰基]苯基]偶氮]-2,4-二羟基苯基]偶氮]-4-羟基苯基]偶氮]水杨酸盐 钠4-[(4-氨基苯基)偶氮]苯甲酸酯 钠4-[(4-{[4-(二乙基氨基)苯基]偶氮}苯基)偶氮]苯磺酸酯 钠4-({3-甲氧基-4-[(4-甲氧基苯基)偶氮]苯基}偶氮)苯磺酸酯 钠3-({5-甲氧基-4-[(4-甲氧基苯基)偶氮]-2-甲基苯基}偶氮)苯磺酸酯 重氮基烯,苯基[4-(三氟甲基)苯基]- 重氮基烯,[4-[(2-乙基己基)氧代]-2,5-二甲基苯基](4-硝基苯基)- 重氮基烯,(2-氯苯基)苯基- 酸性金黄G 酸性棕S-BL 酸性媒介棕6 酸性媒介棕48 酸性媒介棕4 酸性媒介棕24 邻氨基偶氮甲苯 达布氨乙基甲硫基磺酸盐 赛甲氧星 茴香酸盐己基 苯重氮化,2-甲氧基-5-甲基-4-[(4-甲基-2-硝基苯基)偶氮]-,氯化 苯酰胺,4-[4-(2,3-二氢-1,4-苯并二噁英-6-基)-5-(2-吡啶基)-1H-咪唑-2-基]- 苯胺棕 苯胺,4-[(4-氯-2-硝基苯基)偶氮]- 苯甲酸,2-[3-[4-(苯偶氮基)苯基]-1-三氮烯基基]- 苯基-(4-苯基偶氮苯基)二氮烯 苯基-(4-哌啶-1-基苯基)二氮烯 苯基-(4-吡咯烷-1-基苯基)二氮烯 苯乙酸,-α-,4-二甲基-,(-alpha-S)-(9CI) 苏丹红 苏丹橙G 苏丹Ⅳ 膦酸,[(2-羟基苯基)[[4-(苯偶氮基)苯基]氨基]甲基]-,二乙基酯 脂绯红 耐晒深蓝R盐 耐晒枣红GBC 羰基[苯基(丙烷-2-基)氨基]乙酸 美沙拉嗪杂质06 美沙拉嗪杂质05