Acid black 52 | 5610-64-0

• 物质功能分类: 染料及颜料 - 染料 - 酸性染料
• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: Acid black 52
• 英文别名: trisodium;chromium;3-hydroxy-4-[(2-hydroxynaphthalen-1-yl)diazenyl]-7-nitronaphthalene-1-sulfonate
• CAS: 5610-64-0
• 化学式: C60H36Cr2N9Na3O21S3
• 分子量: 1488.1
• InChiKey: IFDIMGHFQDRBKD-UHFFFAOYSA-K

物化性质

• 颜色/状态：
  Black powder
• 气味：
  Odorless[ECHA; Search for Chemicals. Chromium, 3-hydroxy-4-
• 熔点：
  Decomposes at 299 °C (OECD Guideline 102 (Melting point / Melting Range)[ECHA; Search for Chemicals. Chromium, 3-hydroxy-4-
• 溶解度：
  Solubility in water: <0.01 g/L at 20 °C and pH 4.39 /Non-sodium complex/[ECHA; Search for Chemicals. Chromium, 3-hydroxy-4-
• 密度：
  1.58 at 20 °C (OECD Guideline 109 (Density of Liquids and Solids))[ECHA; Search for Chemicals. Chromium, 3-hydroxy-4-
• 稳定性/保质期：
  1. 常温常压下稳定，避免与强氧化剂接触。 2. 该物质遇浓硫酸呈现暗蓝色，遇浓硝酸则变为黄棕色溶液；在稀释后生成黑色沉淀，并且遇稀氢氧化钠溶液时呈紫黑色。
• 分解：
  Hazardous Decomposition Products: Carbon monoxide, oxides of nitrogen, oxides of sulfur, irritating and toxic fumes and gases, carbon dioxide, sodium oxide, chromium dioxide.

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  98
• 可旋转键数：
  6
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  530
• 氢给体数：
  6
• 氢受体数：
  27

ADMET

毒理性

• 毒性总结

识别和使用：酸黑52（AB52）是一种黑色粉末。它是一种用于尼龙、皮革、阳极氧化铝和氨基塑料的染料，用于羊毛和丝绸的着色和印花。动物研究：研究了酸黑52（AB52）对大鼠和仓鼠的影响。AB52以0.56至3.16 mg/0.2 mL盐水溶液的浓度，每周一次通过气管内给药给仓鼠和大鼠，持续15周。AB52以2%的水平在饮食中口服给药27个月。在整个研究过程中观察动物的临床症状。实验结束时，所有动物被处死，并进行了完整的尸检和组织病理学研究。无论是通过哪种给药途径，AB52在两种动物中均未表现出致癌性。气管内给药后，AB52在仓鼠和大鼠的呼吸道中产生了与剂量相关的毒性效应。在连续12周每周一次相同剂量水平的气管内给药后，仓鼠和大鼠在毒性反应上表现出显著的物种差异。在较高剂量水平（大鼠0.61 mg和仓鼠0.75 mg）时，这种黑色染料对大鼠的毒性大于仓鼠；八只雄性和两只雌性大鼠死亡，而只有两只雄性仓鼠死亡。每个物种的雄性组出现了剂量相关的死亡率；然而，在给药的雌性中并没有观察到这种死亡模式。与对照相比，两种物种的所有雄性和雌性组均观察到体重增加减少（除了0.16 mg剂量水平的雄性组）。仓鼠和大鼠在每次将AB52悬浮液注入气管后立即表现出窒息、极度呼吸困难和倒下。

IDENTIFICATION AND USE: Acid Black 52 (AB52) is a black powder. It is a dye for nylon, leather, anodized aluminum & aminoplasts, coloring & printing wool & silk. ANIMAL STUDIES: The effects of acid black 52 (AB52) were studied in rats and hamsters. AB52 was administered intratracheally to hamsters and rats once/wk for 15 wk at concn of 0.56 to 3.16 mg/0.2 mL of saline solution. AB52 was administered orally for 27 mo at 2% level in the diet. Animals were observed for clinical symptoms throughout the study. At the end of the experiments, all animals were killed, and complete necropsies and histopathological studies were conducted. AB52 was not oncogenic in either species by either route of administration. Following intratracheal administration, AB52 produced a dose-related toxic effect in the respiratory tract of both hamsters and rats. At similar dose levels administered intratracheally once a week for 12 consecutive weeks, hamsters and rats showed striking species differences in toxic response. The black dye was more toxic in rats than hamsters at the higher dose level (0.61 mg rat and 0.75 mg hamster); eight male and two female rats died as compared to only two male hamsters. A dose-related mortality rate was apparent among the male groups of each species; however, no such pattern of mortality was observed in females administered the dye. Reduced body weight gain was noted in all male and female groups of both species as compared to their controls (except the male group at the 0.16 mg dose level). Both hamsters and rats exhibited suffocation, extreme breathing difficulty, and collapse immediately following each instillation of the AB52 suspension into the trachea.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 致癌性证据

证据权重特征描述：根据美国环保局（EPA）风险评估指南（1986年）中概述的评估对人类致癌性整体证据权重的标准，三价铬最合适被划分为D组——关于其人类致癌性尚未分类。使用《致癌风险评估指南（拟议版）》（1996年），对于确定三价铬的潜在致癌性数据不足……然而，将六价铬分类为已知人类致癌物引发了对三价铬致癌潜力的担忧。人类致癌性数据：在铬酸盐制造和铁铬工业中，通过吸入三价铬和其他铬化合物进行职业暴露已经得到了研究；然而，所有暴露都包括对Cr(III)和Cr(VI)的混合暴露。在铬工人超额癌症风险报告中，Cr(VI)物种很可能是病因学上的作用因素。针对单独暴露于Cr(III)的数据不可用，数据不足以评估人类致癌潜力。……动物致癌性数据：动物口服和吸入暴露于三价铬的数据不支持三价铬致癌性的证明。国际癌症研究机构（IARC）认为动物数据不足以评估Cr(III)化合物的致癌性。此外，尽管有充分证据表明与铬暴露相关的呼吸道致癌性，但无法阐明Cr(III)、Cr(VI)、金属铬或可溶性铬与不溶性铬对致癌性的相对贡献……/三价铬（不可溶性盐类）/

WEIGHT OF EVIDENCE CHARACTERIZATION: Applying the criteria for evaluating the overall weight of evidence for carcinogenicity to humans outlined in EPA's guidelines for risk assessment (1986), trivalent chromium is most appropriately designated a Group D -- Not classified as to its human carcinogenicity. Using the Proposed Guidelines for Carcinogen Risk Assessment (1996), there are inadequate data to determine the potential carcinogenicity of trivalent chromium ... However, the classification of hexavalent chromium as a known human carcinogen raises a concern for the carcinogenic potential of trivalent chromium. HUMAN CARCINOGENICITY DATA: Occupational exposure to trivalent chromium and other chromium compounds by inhalation has been studied in the chromate manufacturing and ferrochromium industries; however, exposures all include mixed exposures to both Cr(III) and Cr(VI). Cr(VI) species is the likely etiological agent in reports of excess cancer risk in chromium workers. Data addressing exposures to Cr(III) alone are not available and data are inadequate for an evaluation of human carcinogenic potential. ... ANIMAL CARCINOGENICITY DATA: The data from oral and inhalation exposures of animals to trivalent chromium do not support documentation of the carcinogenicity of trivalent chromium. IARC concluded that animal data are inadequate for the evaluation of the carcinogenicity of Cr(III) compounds. Furthermore, although there is sufficient evidence of respiratory carcinogenicity associated with exposure to chromium, the relative contribution of Cr(III), Cr(VI), metallic chromium, or soluble versus insoluble chromium to carcinogenicity cannot be elucidated... /Chromium (III), insoluble salts/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 致癌性证据

A4；不可归类为人类致癌物。/铬和Cr(III)无机化合物/

A4; Not classifiable as a human carcinogen. /Chromium and Cr(III) inorganic compounds/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 致癌性证据

评估：对于金属铬和铬(III)化合物的致癌性，在人类中的证据不足。在实验动物中，对于金属铬、铬酸钡和铬(III)化合物的致癌性证据也不足。总体评估：金属铬和铬(III)化合物在人类致癌性方面无法归类（第3组）。/金属铬和铬(III)化合物/

Evaluation: There is inadequate evidence in humans for the carcinogenicity of metallic chromium and of chromium(III) compounds. There is inadequate evidence in experimental animals for the carcinogenicity of metallic chromium, barium chromate and chromium(III) compounds. Overall evaluation: Metallic chromium and chromium(III) compounds are not classifiable as to their carcinogenicity to humans (Group 3). /Metallic chromium and chromium(III) compounds/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 解毒与急救

立即急救：确保已经进行了充分去污。如果患者停止呼吸，开始人工呼吸，最好使用需求阀复苏器、气囊面罩装置或口袋面罩，按训练进行操作。如有必要，执行心肺复苏。立即用缓慢流动的水冲洗受污染的眼睛。不要催吐。如果发生呕吐，让患者向前倾或放在左侧（如果可能的话，头部向下）以保持呼吸道畅通，防止吸入。保持患者安静，维持正常体温。寻求医疗帮助。/毒物A和B/

Immediate first aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR if necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Poisons A and B/

来源:Hazardous Substances Data Bank (HSDB)

安全信息

• 安全说明：
  S24/25
• 海关编码：
  29270000

制备方法与用途

生产方法： 将6-硝基-1,2,4-三苯并吡喃进行重氮化处理，然后与2-萘酚偶合，在水溶液中与甲酸铬共同加热至115℃，保持2小时。之后，混入相同批次的一半未络合的染料，并用氢氧化钠调节为碱性条件，最后进行干燥。其产品组成约为2摩尔铬对2摩尔氮染料。

表征谱图