1-萘异硫氰酸酯

【用途一】
用作分析试剂及有机合成中间体。

[ 密度 ]:
1.1±0.1 g/cm3

[ 沸点 ]:
339.3±11.0 °C at 760 mmHg

[ 熔点 ]:
55.5-57 °C(lit.)

[ 分子式 ]:
C₁₁H₇NS

[ 分子量 ]:
185.245

[ 闪点 ]:
167.2±27.1 °C

[ 精确质量 ]:
185.029922

[ PSA ]:
44.45000

[ LogP ]:
4.47

[ 外观性状 ]:
白色结晶粉末

[ 蒸汽压 ]:
0.0±0.7 mmHg at 25°C

[ 折射率 ]:
1.623

[ 储存条件 ]:
库房通风低温干燥,与氧化剂、酸类、食品添加剂分开存放

[ 稳定性 ]:
Stable, but moisture sensitive. Incompatible with strong oxidizing agents.

[ 水溶解性 ]:
insoluble

详细MSDS(安全技术说明书)

CHEMICAL IDENTIFICATION

RTECS NUMBER :

NX9100000

CHEMICAL NAME :

Isothiocyanic acid, 1-naphthyl ester

CAS REGISTRY NUMBER :

551-06-4

BEILSTEIN REFERENCE NO. :

0637868

LAST UPDATED :

199701

DATA ITEMS CITED :

13

MOLECULAR FORMULA :

C11-H7-N-S

MOLECULAR WEIGHT :

185.25

WISWESSER LINE NOTATION :

L66J BNCS

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 :

200 mg/kg

TOXIC EFFECTS :

Liver - hepatitis (hepatocellular necrosis), zonal Liver - other changes

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

105 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 :

152 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 :

16800 mg/kg/32W-C

TOXIC EFFECTS :

Liver - jaundice, other or unclassified Liver - other changes Related to Chronic Data - death

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Unreported

SPECIES OBSERVED :

Mammal - domestic

DOSE/DURATION :

1300 mg/kg/13D-I

TOXIC EFFECTS :

Liver - hepatitis (hepatocellular necrosis), zonal Liver - other changes Related to Chronic Data - death

MUTATION DATA

TYPE OF TEST :

Unscheduled DNA synthesis

TEST SYSTEM :

Rodent - rat Liver

DOSE/DURATION :

10 umol/L

REFERENCE :

ENMUDM Environmental Mutagenesis. (New York, NY) V.1-9, 1979-87. For publisher information, see EMMUEG. Volume(issue)/page/year: 3,11,1981

[ 符号 ]:

GHS06, GHS08

[ 信号词 ]:
Danger

[ 危害声明 ]:
H301-H312 + H332-H315-H319-H334-H335

[ 警示性声明 ]:
P261-P280-P301 + P310-P305 + P351 + P338-P342 + 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) ]:
S22-S26-S36/37-S45-S24/25

[ 危险品运输编码 ]:
UN 2811 6.1/PG 3

[ WGK德国 ]:
3

[ RTECS号 ]:
NX9100000

[ 包装等级 ]:
II

[ 危险类别 ]:
6.1

详细合成路线

1-萘异硫氰酸酯上游产品

1-萘异硫氰酸酯下游产品

1.由α-萘基硫脲在氯苯中加热回流制得。将α-萘基硫脲加入氯苯中，加热回流溶解，继续回流8h。减压回收氯苯后，冷却结晶，用已烷提取，回收已烷，得粗品，经丙酮重结晶即得成品，收率85%以上。
2.制法：

于装有搅拌器、回流冷凝器的反应瓶中，加入a-萘基硫脲（2）81g（0.4mol），800mL新蒸馏过的无水氯苯，搅拌下加热回流8h。反应中有氨气逸出，注意用水货稀酸吸收。反应结束后，减压蒸出氯苯，冷却析出固体。用沸己烷提取，不溶部分为原料a-萘基硫脲和副产物二萘基脲。回收己烷，得粗品。用丙酮重结晶，得异硫氰酸-1-萘酯^①（1）62g，mp58～59℃，收率85%。注：①参照上述方法，可制备如下各种异硫氰酸酯（表I-9-6）。

Salting-out assisted liquid-liquid extraction for the determination of biogenic amines in fruit juices and alcoholic beverages after derivatization with 1-naphthylisothiocyanate and high performance liquid chromatography.

J. Chromatogr. A. 1422 , 60-72, (2015)

A new method for determining biogenic amines in fruit juices and alcoholic beverages is described involving reaction of biogenic amines with 1-naphthylisothiocyanate followed by extraction of 1-naphth...

All-trans-retinoic acid improves cholestasis in α-naphthylisothiocyanate-treated rats and Mdr2-/- mice.

J. Pharmacol. Exp. Ther. 349(1) , 94-8, (2014)

Chronic cholestasis results in liver injury and eventually liver failure. Although ursodeoxycholic acid (UDCA) showed limited benefits in primary biliary cirrhosis, there is an urgent need to develop ...

Changes of pharmacokinetics of 6,7-dimethoxycoumarin in a rat model of alpha-naphthylisothiocyanate-induced experimental hepatic injury after Yinchenhao Decoction () treatment.

Chin. J. Integr. Med. 18(11) , 831-6, (2012)

To study the changes of pharmacokinetics of 6,7-dimethoxycoumarin in a rat model of alpha-naphthylisothiocyanate (ANIT)-induced experimental hepatic injury after oral administration of Yinchenhao Deco...

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公司名：上海化源世纪贸易有限公司

区域：上海市普陀区

价格：

联系人：徐经理

产品详情：1-萘异硫氰酸酯

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公司名：上海吉至生化科技有限公司

区域：上海市奉贤区

价格：
￥378.0/5g ￥98.0/1g

联系人：刘佳

产品详情：1-萘异硫氰酸酯

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公司名：上海阿拉丁生化科技股份有限公司

区域：上海市浦东新区

价格：
￥399.0/1g ￥需询单/1g ￥需询单/1g ￥需询单/1g

联系人：阿拉丁

产品详情：1-萘异硫氰酸酯

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