sodium;3-[[N-ethyl-4-[[4-[ethyl-[(3-sulfophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]-phenylmethyl]anilino]methyl]benzenesulfonate | 4680-78-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: sodium;3-[[N-ethyl-4-[[4-[ethyl-[(3-sulfophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]-phenylmethyl]anilino]methyl]benzenesulfonate
• CAS: 4680-78-8
• 化学式: C37H36N2NaO6S2+
• 分子量: 691.8
• InChiKey: XKTMIJODWOEBKO-UHFFFAOYSA-N

物化性质

• 熔点：
  255 °C (dec.) (lit.)
• 溶解度：
  可溶于DMSO（少许）、甲醇（少许）
• 物理描述：
  C.i. acid green 3 appears as a dull dark green powder. Used as a dye for silk or wool and biological stains.
• 颜色/状态：
  A dull, dark green powder or bright crystalline solid
• 蒸汽压力：
  7.2X10-39 mm Hg at 25 °C (est)
• 分解：
  When heated to decomposition it emits very toxic fumes of /sulfur and nitrogen oxides as well as sodium monoxide/.
• 稳定性/保质期：
  在常温常压下保持稳定。

计算性质

• 辛醇/水分配系数(LogP)：
  3.47
• 重原子数：
  48
• 可旋转键数：
  11
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  135
• 氢给体数：
  1
• 氢受体数：
  7

ADMET

毒理性

• 致癌性证据

没有关于人类的数据。动物致癌性证据有限。总体评估：第3组：该物质对人类致癌性无法分类。

No data are available in humans. Limited evidence of carcinogenicity in animals. OVERALL EVALUATION: Group 3: The agent is not classifiable as to its carcinogenicity to humans.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 致癌物分类

国际癌症研究机构致癌剂：吉纳绿B

IARC Carcinogenic Agent:Guinea Green B

来源:International Agency for Research on Cancer (IARC)

毒理性

• 致癌物分类

国际癌症研究机构（IARC）致癌物分类：第3组：对其对人类的致癌性无法分类

IARC Carcinogenic Classes:Group 3: Not classifiable as to its carcinogenicity to humans

来源:International Agency for Research on Cancer (IARC)

毒理性

• 致癌物分类

国际癌症研究机构专论：第16卷（1978年）一些芳香胺及其相关硝基化合物 - 染发剂、着色剂和杂项工业化学品

IARC Monographs:Volume 16: (1978) Some Aromatic Amines and Related Nitro Compounds – Hair Dyes, Colouring Agents and Miscellaneous Industrial Chemicals

来源:International Agency for Research on Cancer (IARC)

毒理性

• 解毒与急救

/SRP:/ 立即急救：确保已经进行了充分的中毒物清除。如果患者停止呼吸，开始人工呼吸，最好使用需求阀复苏器、袋阀面罩装置或口袋面罩，按训练操作。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，让患者前倾或置于左侧（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/

/SRP:/ 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 the 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)

吸收、分配和排泄

在大鼠口服给药的研究中发现，只有少量染料（小于5%）被吸收并在胆汁中未改变地排出。在大鼠静脉注射后，约75%的染料在4小时内通过胆汁排出。

Studies in rats involving oral administration showed that only small amounts of the dye (< 5%) are absorbed and excreted unchanged in the bile. Following its iv injection in rats, about 75% of the dye was excreted in the bile within 4 hr.

来源:Hazardous Substances Data Bank (HSDB)

安全信息

• 海关编码：
  3204120000