N-[4-(甲基氨基)-3-硝基苯基]二乙醇胺
- 中文名称：
- N-[4-(甲基氨基)-3-硝基苯基]二乙醇胺
- 中文别名：
- N-[4-(甲基氨基)-3-硝基苯基]二乙醇胺;
2,2'-[[4-(甲氨基)-3-硝基苯基]亚氨基]双乙醇
- 英文名称：
- Ethanol,2,2'-[[4-(methylamino)-3-nitrophenyl]imino]bis-
- 英文别名：
- 2-[N-(2-hydroxyethyl)-4-(methylamino)-3-nitroanilino]ethanol;
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)
- CAS No.：
- 2784-94-3
- 分 子 式：
-
C11H17N3O4
- 分 子 量：
- 255.31
- 精确分子量：
- 255.12200
- PSA：
- 101.55000
- EINECS：
- 220-495-9
- InChI：
- The Key: MWJSMPQOVHQYTE-UHFFFAOYSA-N3
- 安全术语：
- Suspected carcinogen with experimental carcinogenic data. Mutation data reported. See also AMINES. When heated to decomposition it emits toxic fumes of NOx.
- 分子结构式：
-
- SDS：
- 查看
N-[4-(甲基氨基)-3-硝基苯基]二乙醇胺 物化性质
- 密度：
- 1.366g/cm3
- 熔点：
- 101.5-104ºC
- 沸点：
- 505.9ºC at 760mmHg
- 闪点：
- 259.7ºC
- 折射率：
- 1.661
- 蒸汽压：
- 4.69E-11mmHg at 25°C
- 存储条件/存储方法：
- 库房通风低温干燥
N-[4-(甲基氨基)-3-硝基苯基]二乙醇胺 安全信息
N-[4-(甲基氨基)-3-硝基苯基]二乙醇胺 毒理性
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
N-[4-(甲基氨基)-3-硝基苯基]二乙醇胺 海关数据
中国海关编码：2922199090
- 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
- 摘要/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%
N-[4-(甲基氨基)-3-硝基苯基]二乙醇胺 分子结构与计算化学数据
计算化学数据
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
N-[4-(甲基氨基)-3-硝基苯基]二乙醇胺 上游产品
N-[4-(甲基氨基)-3-硝基苯基]二乙醇胺 下游产品
