| 中文名 |
乙酰苯胺
|
| 英文名 |
N-phenylacetamide
|
| 英文别名 |
N-Phenylacetamide
Acetanilide
usafek-3
EINECS 203-150-7
ACETANIL
N-phenyl-acetamide
Phenalgene
Acetylaniline
Phenalgin
Acetanilid
acetamidobenzene
Antifebrin
methylenecarboxanilide
MFCD00008674
N-Acetylaniline
|
| 密度 |
1.0±0.1 g/cm3
|
| 沸点 |
254.9±23.0 °C at 760 mmHg
|
| 熔点 |
113-115 °C(lit.)
|
| 分子式 |
C8H9NO
|
| 分子量 |
135.163
|
| 闪点 |
145.6±11.9 °C
|
| 精确质量 |
135.068420
|
| PSA |
29.10000
|
| LogP |
1.66
|
| 外观性状 |
无色有闪光的小叶状固体。
|
| 蒸汽密度 |
4.65 (vs air)
|
| 蒸汽压 |
0.0±0.5 mmHg at 25°C
|
| 折射率 |
1.519
|
| 储存条件 |
1.密封阴凉干燥避光保存。
2.采用内层塑料袋、外层麻袋或帆布袋包装,每袋净重50kg。贮存在阴凉、干燥、通风处,防火、防潮。用汽车或火车运输均可。按有毒化学品规定贮运。
|
| 稳定性 |
1.避免与氧化物接触。
2.由呼吸和消化系统进入体内,能抑制中枢神经系统和心血管系统,大量接触会引起头昏和面色苍白等症。大鼠经口LD50:800mg/kg。生产设备应密闭。操作人员应穿戴好防护用具,避免直接接触。下班后用温水沐浴。
3.有毒,具有刺激性,口服有害,使用时应避免吸入本品的粉尘,避免与眼睛及皮肤接触。
4. 存在于主流烟气中。
5. 大鼠口服LD50800g/kg
|
| 水溶解性 |
5 g/L (25 ºC)
|
| 分子结构 |
1、 摩尔折射率:40.52
2、 摩尔体积(cm3/mol):122.5
3、 等张比容(90.2K):311.0
4、 表面张力(dyne/cm):41.5
5、 介电常数:
6、 偶极距(10-24cm3):
7、 极化率:16.06
|
| 计算化学 |
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:3
6.拓扑分子极性表面积29.1
7.重原子数量:10
8.表面电荷:0
9.复杂度:116
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. 性状:白色有光泽片状结晶或白色结晶粉末。无臭。轻微的烧糊味道。
2. 密度(g/mL,25/4℃):1.219
3. 相对蒸汽密度(g/mL,空气=1):未确定
4. 熔点(ºC):113-115
5. 沸点(ºC,常压):304-305
6. 沸点(ºC,5.2kPa):未确定
7. 折射率(n20D):1.53
8. 闪点(ºC):173
9. 比旋光度(º):未确定
10. 自燃点或引燃温度(ºC):未确定
11. 蒸气压(kPa,25ºC):未确定
12. 饱和蒸气压(kPa,60ºC):未确定
13. 燃烧热(KJ/mol):未确定
14. 临界温度(ºC):未确定
15. 临界压力(KPa):未确定
16. 油水(辛醇/水)分配系数的对数值:未确定
17. 爆炸上限(%,V/V):未确定
18. 爆炸下限(%,V/V):未确定
19. 溶解性:微溶于冷水,溶于热水、甲醇、乙醇、乙醚、氯仿、丙酮、甘油和苯等。
|
毒理学数据:
1、 急性毒性:大鼠经口LD5O:800mg/kg
小鼠经口LC5O:1210mg/kg
生态学数据:
该物质对水有稍微的危害。吸入该品对上呼吸道有刺激性。高剂量摄入可引起高铁血红蛋白血症和骨髓增生。
CHEMICAL IDENTIFICATION
-
RTECS NUMBER :
-
AD7350000
-
CHEMICAL NAME :
-
Acetanilide
-
CAS REGISTRY NUMBER :
-
103-84-4
-
LAST UPDATED :
-
199710
-
DATA ITEMS CITED :
-
21
-
MOLECULAR FORMULA :
-
C8-H9-N-O
-
MOLECULAR WEIGHT :
-
135.18
-
WISWESSER LINE NOTATION :
-
1VMR
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
-
TYPE OF TEST :
-
TDLo - Lowest published toxic dose
-
ROUTE OF EXPOSURE :
-
Oral
-
SPECIES OBSERVED :
-
Human
-
DOSE/DURATION :
-
14 mg/kg/D
-
TOXIC EFFECTS :
-
Lungs, Thorax, or Respiration - cyanosis Kidney, Ureter, Bladder - changes in tubules (including acute renal failure, acute tubular necrosis) Blood - methemoglobinemia-carboxyhemoglobin
-
TYPE OF TEST :
-
LDLo - Lowest published lethal dose
-
ROUTE OF EXPOSURE :
-
Oral
-
SPECIES OBSERVED :
-
Human - man
-
DOSE/DURATION :
-
56 mg/kg/H-I
-
TOXIC EFFECTS :
-
Behavioral - hallucinations, distorted perceptions Gastrointestinal - decreased motility or constipation Nutritional and Gross Metabolic - body temperature decrease
-
TYPE OF TEST :
-
TDLo - Lowest published toxic dose
-
ROUTE OF EXPOSURE :
-
Oral
-
SPECIES OBSERVED :
-
Human - man
-
DOSE/DURATION :
-
405 mg/kg
-
TOXIC EFFECTS :
-
Behavioral - sleep Lungs, Thorax, or Respiration - cyanosis Lungs, Thorax, or Respiration - respiratory stimulation
-
TYPE OF TEST :
-
LDLo - Lowest published lethal dose
-
ROUTE OF EXPOSURE :
-
Unreported
-
SPECIES OBSERVED :
-
Human - man
-
DOSE/DURATION :
-
59 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 :
-
Oral
-
SPECIES OBSERVED :
-
Rodent - rat
-
DOSE/DURATION :
-
800 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 - rat
-
DOSE/DURATION :
-
540 mg/kg
-
TOXIC EFFECTS :
-
Nutritional and Gross Metabolic - body temperature decrease
-
TYPE OF TEST :
-
LD50 - Lethal dose, 50 percent kill
-
ROUTE OF EXPOSURE :
-
Oral
-
SPECIES OBSERVED :
-
Rodent - mouse
-
DOSE/DURATION :
-
1210 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 :
-
500 mg/kg
-
TOXIC EFFECTS :
-
Details of toxic effects not reported other than lethal dose value
-
TYPE OF TEST :
-
LDLo - Lowest published lethal dose
-
ROUTE OF EXPOSURE :
-
Oral
-
SPECIES OBSERVED :
-
Mammal - dog
-
DOSE/DURATION :
-
500 mg/kg
-
TOXIC EFFECTS :
-
Details of toxic effects not reported other than lethal dose value
-
TYPE OF TEST :
-
LDLo - Lowest published lethal dose
-
ROUTE OF EXPOSURE :
-
Intravenous
-
SPECIES OBSERVED :
-
Mammal - dog
-
DOSE/DURATION :
-
300 mg/kg
-
TOXIC EFFECTS :
-
Details of toxic effects not reported other than lethal dose value
-
TYPE OF TEST :
-
LDLo - Lowest published lethal dose
-
ROUTE OF EXPOSURE :
-
Oral
-
SPECIES OBSERVED :
-
Mammal - cat
-
DOSE/DURATION :
-
250 mg/kg
-
TOXIC EFFECTS :
-
Details of toxic effects not reported other than lethal dose value
-
TYPE OF TEST :
-
LDLo - Lowest published lethal dose
-
ROUTE OF EXPOSURE :
-
Intravenous
-
SPECIES OBSERVED :
-
Mammal - cat
-
DOSE/DURATION :
-
8500 ug/kg
-
TOXIC EFFECTS :
-
Details of toxic effects not reported other than lethal dose value
-
TYPE OF TEST :
-
LDLo - Lowest published lethal dose
-
ROUTE OF EXPOSURE :
-
Oral
-
SPECIES OBSERVED :
-
Rodent - rabbit
-
DOSE/DURATION :
-
1500 mg/kg
-
TOXIC EFFECTS :
-
Peripheral Nerve and Sensation - spastic paralysis with or without sensory change
-
TYPE OF TEST :
-
LDLo - Lowest published lethal dose
-
ROUTE OF EXPOSURE :
-
Oral
-
SPECIES OBSERVED :
-
Rodent - guinea pig
-
DOSE/DURATION :
-
200 mg/kg
-
TOXIC EFFECTS :
-
Details of toxic effects not reported other than lethal dose value
MUTATION DATA
-
TEST SYSTEM :
-
Rodent - mouse
-
DOSE/DURATION :
-
50 mg/kg
-
REFERENCE :
-
JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 80,761,1991 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - A1053 No. of Facilities: 28 (estimated) No. of Industries: 2 No. of Occupations: 2 No. of Employees: 66 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - A1053 No. of Facilities: 716 (estimated) No. of Industries: 3 No. of Occupations: 19 No. of Employees: 10584 (estimated) No. of Female Employees: 6423 (estimated)
|
【方法一】
由苯胺经乙酸乙酰化而得。将苯胺和冰醋酸(过量100%)置于带夹套的搪玻璃反应器内,回流6-14h直至无游离苯胺为止。若用稀乙酸,则反应温度为150-160℃,反应结束后趁热过滤,除去残渣,滤液冷却、结晶,离心过滤,水洗并干燥,即得产品。也可采用乙酐作酰化剂,反应在苯溶液中进行,乙酐过量150%。操作示例1将四只反应罐成梯形排列,最高一只反应罐装有分馏柱。苯胺从分馏柱顶部连续加入,回收乙酸与苯胺混合物从第二只反应罐连续加入,乙酸从第三只反应罐连续加入。控制不同的反应温度(第三只为160-170℃,第四只为200-210℃),使乙酸与苯胺进行气液相对流反应,反应生成的水从分馏柱顶部蒸出,乙酰化物流入第四只反应罐,再抽入蒸馏罐,减压蒸出未转化的苯胺及乙酸,反应产物经冷却成片状,得乙酰苯胺。重量配料比:苯胺:乙酸=1:(0.65-0.70),收率99.5%。操作示例2先向酰化锅投入苯胺及3/10量的乙酸(含量60%以上),加热,同时缓缓加入1/10量乙酸,加热至沸腾,收集分馏出的稀乙酸,并缓缓向锅内补充4/10量的浓乙酸或冰醋酸,反应7h。最后一次加入剩余的2/10量的冰醋酸,回流分馏,当分馏出的乙酸浓度达85%以上时,进行真空蒸馏,蒸出剩余的乙酸。出料、冷却、粉碎即为成品。苯胺酰化生产乙酰苯胺大多采用冰醋酸作酰化剂。原料消耗定额:苯胺(99%)690kg/t、冰醋酸500kg/t。 实验室制备可按下法:在带回流冷凝器的500ml烧瓶中,加入20.5g(0.22mol)苯胺,21.5g(0.21mol)乙酐,21g(0.35mol)冰醋酸及0.1g锌粉。混匀后缓缓加热煮沸半小时。然后将热反应物呈细流状傾入500ml冷水中,搅拌,用冰冷却。过滤,干燥,得粗品26g。熔点113℃。用乙醇、水重结晶提纯,熔点114℃。
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