烯丙基胺

  • 基本信息
  • 制备方法及用途
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 结构与计算化学
  • 表征图谱

烯丙基胺 基本信息

中文名称:
烯丙基胺 
中文别名:
烯丙胺;
3-氨基-1-丙烯;
丙烯胺;
3-氨基丙烯 
英文名称:
Allylamine
英文别名:
Allylamine;
2-Propenamine;
2-Propenylamine;
CH2=CHCH2NH2;
1-amino-2-propene;
2-propeneamine;
3-aminoprop-1-ene;
3-AMINOPROPENE;
MONOALLYLAMINE;
Allylamin;
3-Aminopropen 
CAS No.:
107-11-9
分 子 式:
C3H7N
分 子 量:
57.09440
精确分子量:
57.05780
PSA:
26.02000
MDL:
MFCD00008199
EINECS:
203-463-9
BRN:
635703
InChI:
InChI=1/C3H7N/c1-3(2)4/h1,4H2,2H3
风险术语:
11-23/24/25-51/53
分子结构式:
SDS:
查看

烯丙基胺 制备方法及用途

制备方法

1.烯丙基氯与氨反应可制得烯丙胺:反应在带回流装置的设备里进行,使硫代异氰酸丙烯酯与20%盐酸回流反应15h。将反应物浓缩,结晶出现时又加水稀释,然后在滴加碱液的同时将烯丙胺蒸出。收集的粗品可用分馏法精制。

合成制备方法

1.烯丙基氯与氨反应可制得烯丙胺:反应在带回流装置的设备里进行,使硫代异氰酸丙烯酯与20%盐酸回流反应15h。将反应物浓缩,结晶出现时又加水稀释,然后在滴加碱液的同时将烯丙胺蒸出。收集的粗品可用分馏法精制。

用途简介

应用于制药中间体、以及家用化学品、乳液改性剂、有机合成和树脂改性剂、硅产品等的中间体。有报导称,可与血浆聚合生成反渗透腊的聚合物用于密闭的载人宇宙飞船中:也可以作腐蚀抑制剂、催化剂和溶剂等。

用途

1.用作聚合物改性剂和利尿药,有机合成的原料等。

2.用于制造药品的中间体,及有机合成和制作溶剂等。[28]

烯丙基胺 物化性质

外观与性状:
淡黄色液体
密度:
0.763
熔点:
-88 °C
沸点:
53 °C(lit.)
闪点:
−20 °F
水溶解性:
miscible
折射率:
n20/D 1.420(lit.)
蒸汽压:
304mmHg at 25°C
蒸汽密度:
2 (vs air)
存储条件/存储方法:
库房通风低温干燥,与氧化剂、酸类分开存放,不宜久储,以防聚合
稳定性相关:

1.化学性质:具有伯胺的化学性质,还能在双键上发生各种反应。例如与卤素、卤化氢加成生成卤代丙胺。与苯反应得到β-氨基异丙基苯。烯丙基胺在自由基催化剂作用下不发生聚合反应。与环戊二烯反应得到2,5-亚甲基-1,2,5,6-四氢化苄胺。

2.稳定性[22]  稳定

3.禁配物[23]  酸类、酰基氯、酸酐、强氧化剂、二氧化碳

4.避免接触的条件[24]  受热

5.聚合危害[25]  聚合

6.分解产物[26]  氨

其它信息:

1.性状:无色液体,有强烈的氨味和焦灼味。[1]

2.熔点(℃):-88.2[2]

3.沸点(℃):55~58[3]

4.相对密度(水=1):0.76[4]

5.相对蒸气密度(空气=1):2.0[5]

6.饱和蒸气压(kPa):25.7(20℃)[6]

7.燃烧热(kJ/mol):-2207.5[7]

8.临界压力(MPa):5.17[8]

9.辛醇/水分配系数:0.03[9]

10.闪点(℃):-29(CC)[10]

11.引燃温度(℃):371[11]

12.爆炸上限(%):22.0[12]

13.爆炸下限(%):2.2[13]

14.溶解性:溶于水、乙醇、乙醚、氯仿。[14]

烯丙基胺 安全信息

包装等级:
I
风险类别:
6.1
海关代码:
29211980
WGK_Germany:
2
德国有关水污染物质的分类清单
危险类别码:
R11;R23/24/25;R51/53
安全说明:
S9-S16-S24/25-S45-S61
RTECS号:
BA5425000
安全标志:
S9:保持容器在一个有良好通风放的场所。
S16:远离火源。
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)。
S61:避免排放到环境中。参考专门的说明/安全数据表。
S24/25:防止皮肤和眼睛接触。
危险标志:
F:Flammable

烯丙基胺 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
BA5425000
CHEMICAL NAME :
Allylamine
CAS REGISTRY NUMBER :
107-11-9
BEILSTEIN REFERENCE NO. :
0635703
LAST UPDATED :
199710
DATA ITEMS CITED :
24
MOLECULAR FORMULA :
C3-H7-N
MOLECULAR WEIGHT :
57.11
WISWESSER LINE NOTATION :
Z2U1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
TYPE OF TEST :
Rinsed with water
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Human - man
DOSE/DURATION :
2500 ppb/5M
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - lacrimation Lungs, Thorax, or Respiration - structural or functional change in trachea or bronchi
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
102 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
177 ppm/8H
TOXIC EFFECTS :
Sense Organs and Special Senses (Olfaction) - effect, not otherwise specified Sense Organs and Special Senses (Eye) - lacrimation Lungs, Thorax, or Respiration - dyspnea
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
37500 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
57 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
49 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - chronic pulmonary edema
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
35 mg/kg
TOXIC EFFECTS :
Skin and Appendages - primary irritation (after topical exposure) Lungs, Thorax, or Respiration - chronic pulmonary edema
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - species unspecified
DOSE/DURATION :
78300 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Mammal - species unspecified
DOSE/DURATION :
320 mg/m3
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Mammal - species unspecified
DOSE/DURATION :
783 mg/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 :
1 gm/kg/11D-I
TOXIC EFFECTS :
Cardiac - changes in coronary arteries Cardiac - other changes Vascular - structural changes in vessels
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
6240 mg/kg/15W-C
TOXIC EFFECTS :
Cardiac - cardiomyopathy including infarction Cardiac - changes in heart weight Related to Chronic Data - death
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
20 ppm/7H/50D-I
TOXIC EFFECTS :
Cardiac - other changes Liver - changes in liver weight Nutritional and Gross Metabolic - weight loss or decreased weight gain
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
4500 ug/kg/26W-I
TOXIC EFFECTS :
Blood - pigmented or nucleated red blood cells Blood - changes in leukocyte (WBC) count Nutritional and Gross Metabolic - weight loss or decreased weight gain

MUTATION DATA

TEST SYSTEM :
Rodent - rat
DOSE/DURATION :
2500 ng/kg
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 48(1),80,1983 *** REVIEWS *** TOXICOLOGY REVIEW TXCYAC Toxicology. (Elsevier Scientific Pub. Ireland, Ltd., POB 85, Limerick, Ireland) V.1- 1973- Volume(issue)/page/year: 44,129,1987 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 0.05 mg/m3;Skin JAN 1993 OEL-SWEDEN:TWA 2 ppm (5 mg/m3);STEL 6 ppm (14 mg/m3);Skin JAN 1993 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - T0127 No. of Facilities: 13 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 27 (estimated)
毒理学数据:

1.急性毒性[15]

LD50:102mg/kg(大鼠经口);35mg/kg(兔经皮)

LC50:177ppm(大鼠吸入,8h)

2.刺激性[16]

家兔经皮:500mg(24h),重度刺激。

家兔经眼:50mg(20sec),重度刺激。

3.亚急性与慢性毒性[17]  亚急性与慢性毒性表现为心肌炎、肝肾充血及肺部病变等。

4.致突变性[18]   细胞遗传学分析:大鼠经口2500ng/kg

生态数据:

1.生态毒性[19]  EC50:16mg/L(5,15min)(发光菌,Microtox测试)

2.生物降解性[20]  MITI-I测试,初始浓度100ppm,污泥浓度30ppm,1%~81%。

3.非生物降解性[21]  空气中,当羟基自由基浓度为5.00×105个/cm3时,降解半衰期为6.8h(理论)。

烯丙基胺 MSDS

第一部分:化学品名称

烯丙基胺 分子结构与计算化学数据

分子结构数据

1、摩尔折射率:19.20

2、摩尔体积(cm3/mol):76.8

3、等张比容(90.2K):169.5

4、表面张力(dyne/cm):23.7

5、介电常数:

6、偶极距(10-24cm3):

7、极化率:7.61

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:1

3.氢键受体数量:1

4.可旋转化学键数量:1

5.互变异构体数量:无

6.拓扑分子极性表面积26

7.重原子数量:4

8.表面电荷:0

9.复杂度:17.2

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

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