对硝基苯甲腈

用作医药中间体

[ 密度 ]:
1.3±0.1 g/cm3

[ 沸点 ]:
307.7±25.0 °C at 760 mmHg

[ 熔点 ]:
144-147 °C(lit.)

[ 分子式 ]:
C₇H₄N₂O₂

[ 分子量 ]:
148.119

[ 闪点 ]:
139.9±23.2 °C

[ 精确质量 ]:
148.027283

[ PSA ]:
69.61000

[ LogP ]:
1.19

[ 外观性状 ]:
白色至淡黄色晶体粉末

[ 蒸汽压 ]:
0.0±0.7 mmHg at 25°C

[ 折射率 ]:
1.580

[ 储存条件 ]:
室温

详细MSDS(安全技术说明书)

CHEMICAL IDENTIFICATION

RTECS NUMBER :

DI4903500

CHEMICAL NAME :

Benzonitrile, p-nitro-

CAS REGISTRY NUMBER :

619-72-7

LAST UPDATED :

199710

DATA ITEMS CITED :

6

MOLECULAR FORMULA :

C7-H4-N2-O2

MOLECULAR WEIGHT :

148.13

WISWESSER LINE NOTATION :

WNR DCN

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 :

30 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 - mouse

DOSE/DURATION :

140 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 :

100 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :

DNA repair

TEST SYSTEM :

Bacteria - Bacillus subtilis

DOSE/DURATION :

50 ug/disc

REFERENCE :

MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 170,11,1986

[ 符号 ]:

GHS06

[ 信号词 ]:
Danger

[ 危害声明 ]:
H300-H311 + H331

[ 警示性声明 ]:
P261-P264-P280-P301 + P310-P311

[ 个人防护装备 ]:
Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges

[ 危害码 (欧洲) ]:
T:Toxic

[ 风险声明 (欧洲) ]:
R23/24/25

[ 安全声明 (欧洲) ]:
S36/37/39-S45-S28A-S36/37-S22

[ 危险品运输编码 ]:
UN 2811 6.1/PG 2

[ WGK德国 ]:
3

[ RTECS号 ]:
DI4903500

[ 包装等级 ]:
II

[ 危险类别 ]:
6.1

[ 海关编码 ]:
29269095

详细合成路线

对硝基苯甲腈上游产品

对硝基苯甲腈下游产品

将对硝基苯甲酸和对甲苯磺酰胺搅拌混合，混满加温，与225-230ºC下反应。将反应物倾入水中，过滤，洗涤，干燥记得到对硝基苯腈。收率82%。

[ 海关编码 ]: 2926909090

[ 中文概述 ]:
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

[ 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%

[A case of methemoglobinemia due to 4-nitrobenzonitrile exposure].

Med. Lav. 82(2) , 137-41, (1991)

The paper describes a singular case of acute intoxication by 4-nitrobenzonitrile, a rare intermediate compound produced by pharmaceutical synthesis. The patients subsequently showed an increase in tri...

Release of nitrite from the antitubercular nitroimidazole drug PA-824 and analogues upon one-electron reduction in protic, non-aqueous solvent.

Org. Biomol. Chem. 8(2) , 413-8, (2010)

The one-electron reduction chemistry of the antituberculosis drug PA-824, together with a series of closely related compounds, has been investigated in irradiated anaerobic propan-2-ol solution. The p...

In vitro metabolism of aromatic nitriles.

J. Pharm. Sci. 83(12) , 1729-34, (1994)

Studies on the metabolic fate of aromatic nitriles, in contrast to their aliphatic counterparts, have been minimal and the subject of controversy. The in vitro metabolic fate of several aromatic nitri...

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