制备方法

将46.5g(0.5mol)苯胺、20g(0.25mol)氯乙酸和50ml水混合,加热回流3h。然后用碳酰钠溶液碱化,用水蒸出过量的苯胺,将剩余物减压蒸馏,收集161-163℃(2.13kPa)馏分,得N-羟乙基苯胺22-24g,收率64-70%。

用途简介

用于有机合成、染料中间体

包装等级：

II

风险类别：

6.1

海关代码：

2922199090

WGK_Germany：

1
德国有关水污染物质的分类清单

危险类别码：

R24;R36

安全说明：

S26-S36/37/39-S45-S28A

RTECS号：

KJ7175000

安全标志：

S26:万一接触眼睛，立即使用大量清水冲洗并送医诊治。
S45:出现意外或者感到不适，立刻到医生那里寻求帮助（最好带去产品容器标签）。
:

危险标志：

T:Toxic;

CHEMICAL IDENTIFICATION

RTECS NUMBER :

KJ7175000

CHEMICAL NAME :

Ethanol, 2-anilino-

CAS REGISTRY NUMBER :

122-98-5

BEILSTEIN REFERENCE NO. :

0774672

LAST UPDATED :

199701

DATA ITEMS CITED :

11

MOLECULAR FORMULA :

C8-H11-N-O

MOLECULAR WEIGHT :

137.20

WISWESSER LINE NOTATION :

Q2MR

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

Open irritation test

ROUTE OF EXPOSURE :

Administration onto the skin

SPECIES OBSERVED :

Rodent - rabbit

REFERENCE :

UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 8/21/1961

TYPE OF TEST :

Standard Draize test

ROUTE OF EXPOSURE :

Administration into the eye

SPECIES OBSERVED :

Rodent - rabbit

REFERENCE :

AJOPAA American Journal of Ophthalmology. (Ophthalmic Pub. Co., 435 N. Michigan Ave., Suite 1415, Chicago, IL 60611) Series 3: V.1- 1918- Volume(issue)/page/year: 29,1363,1946

TYPE OF TEST :

Standard Draize test

ROUTE OF EXPOSURE :

Administration into the eye

SPECIES OBSERVED :

Rodent - rabbit

REFERENCE :

85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,691,1986 ** ACUTE TOXICITY DATA **

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

2230 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 8/21/1961

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

137 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

YKKZAJ Yakugaku Zasshi. Journal of Pharmacy. (Nippon Yakugakkai, 2-12-15 Shibuya, Shibuya-ku, Tokyo 150, Japan) No.1- 1881- Volume(issue)/page/year: 97,1117,1977

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

1100 mg/kg

TOXIC EFFECTS :

Vascular - BP elevation not characterized in autonomic section

REFERENCE :

85IXA4 "Structure et Activite Pharmacodyanmique des Medicaments du Systeme Nerveux Vegetatif," Bovet, D., and F. Bovet-Nitti, New York, S. Karger, 1948 Volume(issue)/page/year: -,111,1948

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Mammal - dog

DOSE/DURATION :

220 mg/kg

TOXIC EFFECTS :

Vascular - contraction (isolated tissues)

REFERENCE :

JAMAAP JAMA, Journal of the American Medical Association. (AMA, 535 N. Dearborn St., Chicago, IL 60610) V.1- 1883- Volume(issue)/page/year: 123,761,1943

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Intravenous

SPECIES OBSERVED :

Mammal - dog

DOSE/DURATION :

165 mg/kg

TOXIC EFFECTS :

Vascular - contraction (isolated tissues)

REFERENCE :

JAMAAP JAMA, Journal of the American Medical Association. (AMA, 535 N. Dearborn St., Chicago, IL 60610) V.1- 1883- Volume(issue)/page/year: 123,761,1943

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Administration onto the skin

SPECIES OBSERVED :

Rodent - rabbit

DOSE/DURATION :

63 uL/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 23,95,1962

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Intravenous

SPECIES OBSERVED :

Rodent - rabbit

DOSE/DURATION :

44 mg/kg

TOXIC EFFECTS :

Behavioral - ataxia Behavioral - coma

REFERENCE :

JAMAAP JAMA, Journal of the American Medical Association. (AMA, 535 N. Dearborn St., Chicago, IL 60610) V.1- 1883- Volume(issue)/page/year: 123,761,1943

毒理学数据：

1、皮肤/眼睛刺激：兔子皮肤刺激性实验：545mg 对皮肤有轻微的刺激。

兔子眼睛标准德雷兹染眼实验：20mg 对眼睛有严重的刺激作用。

兔子眼睛标准德雷兹染眼实验：20mg/24H 对眼睛有中等强度的刺激作用。

2、急性毒性：大鼠经口LD50：2230mg/kg

小鼠经腹腔膜LD50：137mg/kg

小鼠经皮下LDLO：1100mg/kg

狗经皮下LDLO：220mg/kg

狗经静脉注射LDLO：165mg/kg

兔子皮肤LD50：63uL/kg

兔子经静脉注射LDLO：44mg/kg

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%

分子结构数据

五、分子性质数据：

1、   摩尔折射率：42.03

2、   摩尔体积（m³/mol）：122.9

3、   等张比容（90.2K）：322.6

4、   表面张力（dyne/cm）：47.5

5、   极化率（10^-24cm³）：16.66

计算化学数据

1.疏水参数计算参考值（XlogP）:无

2.氢键供体数量:2

3.氢键受体数量:2

4.可旋转化学键数量:3

5.互变异构体数量:无

6.拓扑分子极性表面积32.3

7.重原子数量:10

8.表面电荷:0

9.复杂度:79.3

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

• 
  2-苯基二乙醇胺红外图谱(IR1)
• 
  2-苯基二乙醇胺红外图谱(IR2)
• 
  2-苯基二乙醇胺质谱(MS)
• 
  2-苯基二乙醇胺核磁图(¹³CNMR)
• 
  2-苯基二乙醇胺核磁图(¹HNMR)