131-92-0

• 常用中文名：还原棕R
• 常用英文名：Vat Brown 3
• CAS号：131-92-0
• 分子式：C₄₂H₂₃N₃O₆
• 分子量：665.64900
• 相关类别： 染料及颜料 染料 还原染料
• 发布时间：2018-09-29 12:45:32
• 更新时间：2024-01-05 18:30:01

• 还原棕 R 主要用于棉纤维的染色，匀染性很好，亲和力也好。还用于涤棉、涤黏、维棉等混纺织物的染色，涤纶组分有轻微沾色。可与分散染料同浴热熔法染色，也可两浴法染色。还可与还原棕 G、还原棕 GG、还原棕 BR 等拼染深浅色光各异的棕色，也用于制备有机颜料。

名称

• 中文名: 还原棕R
• 英文名: Atic Vat Brown R
• 中文别名: 还原棕 3
• 英文别名: Tinon Brown GRF; Tinon Brown GR; Caledon Brown R; Calcoloid Brown R; Novatic Brown R; vat brown R; Vat Brown 3; Ahcovat Brown AR; Benzadone Brown R; Vat Brown K

物化性质

• 密度: 1.537
• 沸点: 685.54°C (rough estimate)
• 熔点: 180ºC
• 分子式: C₄₂H₂₃N₃O₆
• 分子量: 665.64900
• 精确质量: 665.15900
• PSA: 142.27000
• LogP: 7.52250
• 外观性状: 无气味的棕色至暗棕色粉末
• 折射率: 1.831
• 计算化学:

  1.疏水参数计算参考值（XlogP）:8.1

  2.氢键供体数量:3

  3.氢键受体数量:6

  4.可旋转化学键数量:4

  5.互变异构体数量:414

  6.拓扑分子极性表面积142

  7.重原子数量:51

  8.表面电荷:0

  9.复杂度:1450

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

• 更多:

  1.外观与性状：深棕色粉末。

  2.溶解性：不溶于水，微溶于二甲苯。于浓硫酸中呈暗酒红色，稀释后产生红棕色絮状沉淀。于保险粉碱性溶液中呈红光棕色，于酸性液中呈黄光棕色。

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : CV5857000 CAS REGISTRY NUMBER : 131-92-0 BEILSTEIN REFERENCE NO. : 0382039 LAST UPDATED : 199710 DATA ITEMS CITED : 8 MOLECULAR FORMULA : C42-H23-N3-O6 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 : >6 gm/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 52(6),85,1987 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 1410 mg/kg TOXIC EFFECTS : Sense Organs and Special Senses (Olfaction) - effect, not otherwise specified Behavioral - food intake (animal) Behavioral - aggression REFERENCE : GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 52(6),85,1987 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : >6 gm/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 52(6),85,1987 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 3600 mg/kg TOXIC EFFECTS : Sense Organs and Special Senses (Olfaction) - effect, not otherwise specified Behavioral - food intake (animal) Behavioral - aggression REFERENCE : GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 52(6),85,1987 ** OTHER MULTIPLE DOSE TOXICITY DATA ** TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 60 gm/kg/30D-I TOXIC EFFECTS : Liver - changes in liver weight Kidney, Ureter, Bladder - other changes Blood - pigmented or nucleated red blood cells REFERENCE : GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 52(6),85,1987 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - M3094 No. of Facilities: 56 (estimated) No. of Industries: 1 No. of Occupations: 7 No. of Employees: 4491 (estimated) No. of Female Employees: 3930 (estimated)

合成路线

128-89-2 ~% 131-92-0

文献：Xiang, Dezhi; Yan, Dejun; Xu, Chongli; Shao, Ying; Fu, Ping; Wang, Hongwei; Su, Shunli; Wei, Jiarong; Wang, Changjing; Shang, Qinghe; Li, Jian; Dou, Yan; Du, Hui; Miao, Jinchao; Liu, Hui; Li, Yongwei; Li, Lianfeng; Xu, Yongmei; Zhang, Mei; Zhang, Xianxu Patent: US2012/296097 A1, 2012 ; Location in patent: Page/Page column 6 ;

3571-23-1 ~% 131-92-0

文献：Xiang, Dezhi; Yan, Dejun; Xu, Chongli; Shao, Ying; Fu, Ping; Wang, Hongwei; Su, Shunli; Wei, Jiarong; Wang, Changjing; Shang, Qinghe; Li, Jian; Dou, Yan; Du, Hui; Miao, Jinchao; Liu, Hui; Li, Yongwei; Li, Lianfeng; Xu, Yongmei; Zhang, Mei; Zhang, Xianxu Patent: US2012/296097 A1, 2012 ;

82-45-1 ~% 131-92-0

文献：Xiang, Dezhi; Yan, Dejun; Xu, Chongli; Shao, Ying; Fu, Ping; Wang, Hongwei; Su, Shunli; Wei, Jiarong; Wang, Changjing; Shang, Qinghe; Li, Jian; Dou, Yan; Du, Hui; Miao, Jinchao; Liu, Hui; Li, Yongwei; Li, Lianfeng; Xu, Yongmei; Zhang, Mei; Zhang, Xianxu Patent: US2012/296097 A1, 2012 ;

上下游产品

上游产品  3
128-89-2 3571-23-1 82-45-1
下游产品  0

制备

以 1-溴-4-苯甲酰氨基蒽醌和 1-氨基-5-苯甲酰氨基蒽醌为原料，首先将两者在无水乙酸钠存在下缩合，用发烟硫酸环化，经次氯酸钠氧化即得产物。经过滤、粉碎、干燥得成品。