ethyl 2-thiocyanatoacetate

ethyl 2-thiocyanatoacetate 基本信息
CAS号 5349-28-0 分子式 C5H7NO2S
分子量 145.18000 精确质量 　145.02000
PSA 　75.39000 LogP 　0.76378
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目录
基本信息 物化性质 安全信息 合成路线 毒性 海关数据 上下游

基本信息 展开↓

CAS号：
5349-28-0
3D弹球模型：
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分子式：
C5H7NO2S
分子量：
145.18000
中文名称：
ethyl 2-thiocyanatoacetate
英文名称：
ethyl 2-thiocyanatoacetate
中文别名：
ethyl 2-thiocyanatoacetate
英文别名：
ethyl 2-thiocyanatoacetate;
Rhodanessigsaeure-aethylester;
Ethyl thiocyanatoacetate;
Thiocyano-essigsaeure-aethyl-ester;
Thiocyanato-essigsaeure-aethylester;
Ethyl thiocyanoacetate;
Thiocyanatoacetic acid ethyl ester;
S-Cyan-thioglykolsaeure-aethylester
精确分子量/精确质量：
145.02000
极性分子表面积/PSA：
75.39000
油水分配系数/LogP：

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值，反映了物质在油水两相中的分配情况。其中、LogP值越大，说明该物质越亲油；反之，LogP值越小，则说明该物质越亲水。
InChI：
The Key: ZRJIGKLTDLURBD-UHFFFAOYSA-N

物化性质展开↓

密度：
1.19g/cm3
沸点：
224.1ºC at 760mmHg
闪点：
89.4ºC
折射率：
1.547
存储条件/存储方法：
库房通风低温干燥,与食品原料分开储运

安全信息展开↓

海关代码：
2930909090

合成路线查看所有的合成路线

  • 105-36-2

    溴代乙酸乙酯

  • →

    ~99%

  • 5349-28-0

    ethyl 2-thiocyanatoacetate

  • 333-20-0

    硫氰酸钾

  • +

  • 105-39-5

    氯乙酸乙酯

  • →

    ~97%

  • 5349-28-0

    ethyl 2-thiocyanatoacetate

  • 333-20-0

    硫氰酸钾

  • +

  • 105-36-2

    溴代乙酸乙酯

  • →

    ~79%

  • 5349-28-0

    ethyl 2-thiocyanatoacetate

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AJ6200000
CHEMICAL NAME :
Acetic acid, thiocyanato-, ethyl ester
CAS REGISTRY NUMBER :
5349-28-0
BEILSTEIN REFERENCE NO. :
1761202
LAST UPDATED :
199712
DATA ITEMS CITED :
7
MOLECULAR FORMULA :
C5-H7-N-O2-S
MOLECULAR WEIGHT :
145.19
WISWESSER LINE NOTATION :
NCS1VO2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
20 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 16,870,1966
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
52 mg/kg
TOXIC EFFECTS :
Peripheral Nerve and Sensation - flaccid paralysis without anesthesia (usually neuromuscular blockage) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - respiratory stimulation
REFERENCE :
JJPAAZ Japanese Journal of Pharmacology. (Japanese Pharmacological Soc., c/o Dept. of Pharmacology, Faculty of Medicine, Kyoto Univ., Sakyo-ku, Kyoto 606, Japan) V.1- 1951- Volume(issue)/page/year: 3,99,1954
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
18300 ug/kg
TOXIC EFFECTS :
Peripheral Nerve and Sensation - flaccid paralysis without anesthesia (usually neuromuscular blockage) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - respiratory stimulation
REFERENCE :
JJPAAZ Japanese Journal of Pharmacology. (Japanese Pharmacological Soc., c/o Dept. of Pharmacology, Faculty of Medicine, Kyoto Univ., Sakyo-ku, Kyoto 606, Japan) V.1- 1951- Volume(issue)/page/year: 3,99,1954
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
39100 ug/kg
TOXIC EFFECTS :
Peripheral Nerve and Sensation - flaccid paralysis without anesthesia (usually neuromuscular blockage) Lungs, Thorax, or Respiration - respiratory stimulation Lungs, Thorax, or Respiration - other changes
REFERENCE :
JJPAAZ Japanese Journal of Pharmacology. (Japanese Pharmacological Soc., c/o Dept. of Pharmacology, Faculty of Medicine, Kyoto Univ., Sakyo-ku, Kyoto 606, Japan) V.1- 1951- Volume(issue)/page/year: 3,99,1954
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
6 mg/kg
TOXIC EFFECTS :
Peripheral Nerve and Sensation - flaccid paralysis without anesthesia (usually neuromuscular blockage) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - respiratory stimulation
REFERENCE :
JJPAAZ Japanese Journal of Pharmacology. (Japanese Pharmacological Soc., c/o Dept. of Pharmacology, Faculty of Medicine, Kyoto Univ., Sakyo-ku, Kyoto 606, Japan) V.1- 1951- Volume(issue)/page/year: 3,99,1954
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
10 mg/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - other changes
REFERENCE :
JJPAAZ Japanese Journal of Pharmacology. (Japanese Pharmacological Soc., c/o Dept. of Pharmacology, Faculty of Medicine, Kyoto Univ., Sakyo-ku, Kyoto 606, Japan) V.1- 1951- Volume(issue)/page/year: 3,99,1954
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intramuscular
SPECIES OBSERVED :
Bird - pigeon
DOSE/DURATION :
20 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JJPAAZ Japanese Journal of Pharmacology. (Japanese Pharmacological Soc., c/o Dept. of Pharmacology, Faculty of Medicine, Kyoto Univ., Sakyo-ku, Kyoto 606, Japan) V.1- 1951- Volume(issue)/page/year: 3,99,1954

海关数据查看详细

中国海关编码：2930909090

概述：
2930909090. 其他有机硫化合物. 增值税率:17.0%. 退税率:13.0%. 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：
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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