制备方法

邻苯二甲酰亚胺与氨反应得到酞酸酰胺后,再经脱水即制得邻苯二甲腈。另外,将苯酐氨化后再与三氯氧磷反应,或将萘五氨进行氨氧化反应,或由邻二甲苯与氨进行氨氧化反应都可制得该品。

合成制备方法

邻苯二甲酰亚胺与氨反应得到酞酸酰胺后，再经脱水即制得邻苯二甲腈。另外，将苯酐氨化后再与三氯氧磷反应，或将萘五氨进行氨氧化反应，或由邻二甲苯与氨进行氨氧化反应都可制得该品。

用途简介

用于染料;颜料及其他有机合成。

用途

用于染料；颜料及其他有机合成。

包装等级：

II

风险类别：

6.1

海关代码：

2926909090

WGK_Germany：

1
德国有关水污染物质的分类清单

危险类别码：

R23/24/25

安全说明：

S36/37/39-S45-S28A

RTECS号：

TI8575000

安全标志：

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 :

TI8575000

CHEMICAL NAME :

Phthalonitrile

CAS REGISTRY NUMBER :

91-15-6

LAST UPDATED :

199710

DATA ITEMS CITED :

15

MOLECULAR FORMULA :

C8-H4-N2

MOLECULAR WEIGHT :

128.14

WISWESSER LINE NOTATION :

NCR BCN

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

125 mg/kg

TOXIC EFFECTS :

Behavioral - convulsions or effect on seizure threshold

REFERENCE :

ZAARAM Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz. (Darmstadt, Fed. Rep. Ger.) V.1-25, 1951-75. Volume(issue)/page/year: 19,225,1969

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

62 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

KJMDA6 Kobe Journal of the Medical Sciences. (Kobe Univ. School of Medicine, Kusunoki-cho, Chuo-ku, Kobe 650, Japan) V.1- 1951- Volume(issue)/page/year: 11,63,1965

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

65 mg/kg

TOXIC EFFECTS :

Behavioral - convulsions or effect on seizure threshold

REFERENCE :

INHEAO Industrial Health. (National Institute of Industrial Health, 6-21-1 Nagao, Tama-ku, Kawasaki, 213 Japan) V.1- 1963- Volume(issue)/page/year: 4,11,1966

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

25 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

46 mg/kg

TOXIC EFFECTS :

Behavioral - convulsions or effect on seizure threshold

REFERENCE :

INHEAO Industrial Health. (National Institute of Industrial Health, 6-21-1 Nagao, Tama-ku, Kawasaki, 213 Japan) V.1- 1963- Volume(issue)/page/year: 4,11,1966

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Mammal - cat

DOSE/DURATION :

20 mg/kg

TOXIC EFFECTS :

Behavioral - convulsions or effect on seizure threshold

REFERENCE :

ZAARAM Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz. (Darmstadt, Fed. Rep. Ger.) V.1-25, 1951-75. Volume(issue)/page/year: 19,225,1969

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rabbit

DOSE/DURATION :

25 mg/kg

TOXIC EFFECTS :

Behavioral - convulsions or effect on seizure threshold

REFERENCE :

ZAARAM Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz. (Darmstadt, Fed. Rep. Ger.) V.1-25, 1951-75. Volume(issue)/page/year: 19,225,1969 ** TUMORIGENIC DATA **

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

7425 mg/kg/66W-I

TOXIC EFFECTS :

Tumorigenic - equivocal tumorigenic agent by RTECS criteria Liver - tumors Blood - leukemia

REFERENCE :

VOONAW Voprosy Onkologii. Problems of Oncology. For English translation, see PONCAU. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-10, 1928-37; V.1- 1955- Volume(issue)/page/year: 18(1),81,1972

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

473 mg/kg/21W-I

TOXIC EFFECTS :

Tumorigenic - equivocal tumorigenic agent by RTECS criteria Liver - tumors Blood - leukemia

REFERENCE :

VOONAW Voprosy Onkologii. Problems of Oncology. For English translation, see PONCAU. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-10, 1928-37; V.1- 1955- Volume(issue)/page/year: 18(1),81,1972

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

21 gm/kg/65W-I

TOXIC EFFECTS :

Tumorigenic - equivocal tumorigenic agent by RTECS criteria Liver - tumors Blood - leukemia

REFERENCE :

VOONAW Voprosy Onkologii. Problems of Oncology. For English translation, see PONCAU. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-10, 1928-37; V.1- 1955- Volume(issue)/page/year: 18(1),81,1972

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Administration onto the skin

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

813 mg/kg/46W-I

TOXIC EFFECTS :

Tumorigenic - equivocal tumorigenic agent by RTECS criteria Blood - leukemia Reproductive - Tumorigenic effects - ovarian tumors

REFERENCE :

VOONAW Voprosy Onkologii. Problems of Oncology. For English translation, see PONCAU. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-10, 1928-37; V.1- 1955- Volume(issue)/page/year: 18(1),81,1972

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

7 gm/kg/63W-I

TOXIC EFFECTS :

Tumorigenic - equivocal tumorigenic agent by RTECS criteria Blood - leukemia Tumorigenic - tumors at site of application

REFERENCE :

VOONAW Voprosy Onkologii. Problems of Oncology. For English translation, see PONCAU. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-10, 1928-37; V.1- 1955- Volume(issue)/page/year: 18(1),81,1972

中国海关编码：2926909090

概述：

2926909090 其他腈基化合物. 增值税率:17.0% 退税率:9.0% 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

摘要/Summary：

HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

分子结构数据

1、  摩尔折射率：51.54

2、  摩尔体积（cm³/mol）：110.0

3、  等张比容（90.2K）：300.6

4、  表面张力（dyne/cm）：55.6

5、  极化率（10-24cm3）：14.22

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:0

3.氢键受体数量:2

4.可旋转化学键数量:0

5.互变异构体数量:无

6.拓扑分子极性表面积47.6

7.重原子数量:10

8.表面电荷:0

9.复杂度:178

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

• 
  邻苯二甲腈质谱(MS)
• 
  邻苯二甲腈核磁图(¹HNMR)
• 
  邻苯二甲腈红外图谱(IR1)
• 
  邻苯二甲腈红外图谱(IR2)