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5349-28-0

5349-28-0 structure
5349-28-0 structure
  • Name: Acetic acid,2-thiocyanato-, ethyl ester
  • Chemical Name: ethyl 2-thiocyanatoacetate
  • CAS Number: 5349-28-0
  • Molecular Formula: C5H7NO2S
  • Molecular Weight: 145.18000
  • Create Date: 2016-05-08 06:49:42
  • Modify Date: 2025-08-28 13:02:13
Name ethyl 2-thiocyanatoacetate
Synonyms Rhodanessigsaeure-aethylester
Ethyl thiocyanatoacetate
Thiocyano-essigsaeure-aethyl-ester
Thiocyanato-essigsaeure-aethylester
Ethyl thiocyanoacetate
Thiocyanatoacetic acid ethyl ester
S-Cyan-thioglykolsaeure-aethylester
Density 1.19g/cm3
Boiling Point 224.1ºC at 760mmHg
Molecular Formula C5H7NO2S
Molecular Weight 145.18000
Flash Point 89.4ºC
Exact Mass 145.02000
PSA 75.39000
LogP 0.76378
Index of Refraction 1.547

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
HS Code 2930909090
333-20-0 structure

333-20-0

105-39-5 structure

105-39-5

~97%

5349-28-0 structure

5349-28-0

Literature: Chen, Li; Chen, Shaoqing; Michoud, Christophe Patent: US2006/63804 A1, 2006 ; Location in patent: Page/Page column 14 ; US 20060063804 A1
105-36-2 structure

105-36-2

~99%

5349-28-0 structure

5349-28-0

Literature: Li, Jing; Cao, Jing-Jing; Wei, Jun-Fa; Shi, Xian-Ying; Zhang, Li-Hui; Feng, Jin-Juan; Chen, Zhan-Guo European Journal of Organic Chemistry, 2011 , # 2 p. 229 - 233
333-20-0 structure

333-20-0

105-36-2 structure

105-36-2

~79%

5349-28-0 structure

5349-28-0

Literature: Kakehi, Akikazu; Ito, Suketaka; Hashimoto, Yasunobu Bulletin of the Chemical Society of Japan, 1996 , vol. 69, # 6 p. 1769 - 1776
105-36-2 structure

105-36-2

2911-22-0 structure

2911-22-0

~74%

5349-28-0 structure

5349-28-0

Literature: Yamamoto, Yutaka; Morita, Yasuo Chemical & Pharmaceutical Bulletin, 1984 , vol. 32, # 8 p. 2957 - 2962
1147550-11-5 structure

1147550-11-5

105-39-5 structure

105-39-5

~%

5349-28-0 structure

5349-28-0

Literature: Farbw.Hoechst. Patent: DE836646 , 1951 ; DRP/DRBP Org.Chem.
623-73-4 structure

623-73-4

333-20-0 structure

333-20-0

~%

5349-28-0 structure

5349-28-0

Literature: Holmberg Chemische Berichte, 1914 , vol. 47, p. 162
64-17-5 structure

64-17-5

333-20-0 structure

333-20-0

105-39-5 structure

105-39-5

~%

5349-28-0 structure

5349-28-0

Literature: Heintz Justus Liebigs Annalen der Chemie, 1865 , vol. 136, p. 223
623-73-4 structure

623-73-4

7664-93-9 structure

7664-93-9

333-20-0 structure

333-20-0

~%

5349-28-0 structure

5349-28-0

Literature: Holmberg Chemische Berichte, 1914 , vol. 47, p. 162
HS Code 2930909090
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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