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131-92-0

131-92-0结构式
131-92-0结构式
  • 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。


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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
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。

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)

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131-92-0结构式

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 ;

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131-92-0结构式

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 ;

~%

131-92-0结构式

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 ;
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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。