2784-94-3

• 常用中文名：N-[4-(甲基氨基)-3-硝基苯基]二乙醇胺
• 常用英文名：2,2'-[[4-(methylamino)-3-nitrophenyl]imino]bisethanol
• CAS号：2784-94-3
• 分子式：C₁₁H₁₇N₃O₄
• 分子量：255.27000
• 发布时间：2018-12-18 12:10:05
• 更新时间：2024-01-11 20:40:39

名称

• 中文名: N-[4-(甲基氨基)-3-硝基苯基]二乙醇胺
• 英文名: 2-[N-(2-hydroxyethyl)-4-(methylamino)-3-nitroanilino]ethanol
• 英文别名: HC Blue 1; 4-bis(2'-hydroxy-ethyl)amino-1-methyl-amino-2-nitro-benzene; 2-methylamino-5-bis(2'-hydroxyethyl)aminonitrobenzene; HC Blue Number 1; EINECS 220-495-9; 2,2'-{[4-(methylamino)-3-nitrophenyl]imino}bisethanol; HC BLUE NO 1; HC blue no. 1 (purified)

物化性质

• 密度: 1.366g/cm3
• 沸点: 505.9ºC at 760mmHg
• 熔点: 101.5-104ºC
• 分子式: C₁₁H₁₇N₃O₄
• 分子量: 255.27000
• 闪点: 259.7ºC
• 精确质量: 255.12200
• PSA: 101.55000
• LogP: 1.02370
• 蒸汽压: 4.69E-11mmHg at 25°C
• 折射率: 1.661
• 储存条件: 库房通风低温干燥
• 计算化学:

  1.疏水参数计算参考值（XlogP）: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:6

  5.互变异构体数量:无

  6.拓扑分子极性表面积:102

  7.重原子数量:18

  8.表面电荷:0

  9.复杂度:253

  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

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : KL6900000 CHEMICAL NAME : Ethanol, 2,2'-((4-(methylamino)-3-nitrophenyl)imino)di- CAS REGISTRY NUMBER : 2784-94-3 LAST UPDATED : 199701 DATA ITEMS CITED : 32 MOLECULAR FORMULA : C11-H17-N3-O4 MOLECULAR WEIGHT : 255.31 WISWESSER LINE NOTATION : WNR BM1 EN2Q2Q HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD - Lethal dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : >500 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LD - Lethal dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : >1 gm/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 35 gm/kg/14D-C TOXIC EFFECTS : Behavioral - altered sleep time (including change in righting reflex) Nutritional and Gross Metabolic - dehydration Related to Chronic Data - death TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 28437 mg/kg/13W-C TOXIC EFFECTS : Endocrine - other changes TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 84 gm/kg/14D-C TOXIC EFFECTS : Kidney, Ureter, Bladder - other changes Nutritional and Gross Metabolic - weight loss or decreased weight gain Related to Chronic Data - death TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 136 gm/kg/13W-C TOXIC EFFECTS : Endocrine - other changes TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 66 gm/kg/2Y-C TOXIC EFFECTS : Tumorigenic - Carcinogenic by RTECS criteria Lungs, Thorax, or Respiration - tumors Liver - tumors TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 98280 mg/kg/39W-C TOXIC EFFECTS : Tumorigenic - Carcinogenic by RTECS criteria Liver - tumors TYPE OF TEST : TD - Toxic dose (other than lowest) ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 131 gm/kg/2Y-C TOXIC EFFECTS : Tumorigenic - Carcinogenic by RTECS criteria Liver - tumors Endocrine - thyroid tumors TYPE OF TEST : Sex chromosome loss and nondisjunction TYPE OF TEST : Micronucleus test MUTATION DATA TYPE OF TEST : Unscheduled DNA synthesis TEST SYSTEM : Rodent - rabbit Liver DOSE/DURATION : 50 mg/L REFERENCE : MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 241,145,1990 *** REVIEWS *** IARC Cancer Review:Animal Sufficient Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 57,129,1993 IARC Cancer Review:Human Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 57,129,1993 IARC Cancer Review:Group 2B IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 57,129,1993

安全

• 海关编码: 2922199090

合成路线

29705-38-2 74-89-5 ~% 2784-94-3

文献：SYNTHON BV; BARTOS, Petr; BENOVSKY, Petr; BARTL, Jiri Patent: WO2013/150020 A1, 2013 ; Location in patent: Page/Page column 17 ;

上下游产品

上游产品  2
29705-38-2 74-89-5
下游产品  2
109882-31-7 3543-74-6

海关

海关编码	2922199090
中文概述	2922199090. 其他氨基醇及其醚，酯和它们的盐（但含一种以上含氧基的除外）. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0%
申报要素	品名, 成分含量, 用途, 乙醇胺及其盐应报明色度, 乙醇胺及其盐应报明包装
Summary	2922199090. other amino-alcohols, other than those containing more than one kind of oxygen function, their ethers and esters; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%