Ethyl N-(thioxomethylene)glycinate
Names
[ CAS No. ]:
24066-82-8
[ Name ]:
Ethyl N-(thioxomethylene)glycinate
[Synonym ]:
Isothiocyanatoacetic Acid Ethyl Ester
Ethyl isothiocyanoacetate
SCNCH2CO2Et
EINECS 417-720-1
Ethyl N-(thioxomethylene)glycinate
ACETIC ACID,ISOTHIOCYANATO-,ETHYL ESTER
SCNCH2COOEt
Carbethoxymethylisothiocyanate
Carboethoxymethyl isothiocyanate
ethyl isothiocyanatoacetate
Glycine, N-carbonothioyl-, ethyl ester
ethoxycarbonyl methylisothiocyanate
Ethoxycarbonylmethyl Isothiocyanate
MFCD00060677
Chemical & Physical Properties
[ Density]:
1.1±0.1 g/cm3
[ Boiling Point ]:
207.0±23.0 °C at 760 mmHg
[ Molecular Formula ]:
C5H7NO2S
[ Molecular Weight ]:
145.180
[ Flash Point ]:
79.0±22.6 °C
[ Exact Mass ]:
145.019745
[ PSA ]:
70.75000
[ LogP ]:
1.57
[ Vapour Pressure ]:
0.2±0.4 mmHg at 25°C
[ Index of Refraction ]:
1.501
[ Storage condition ]:
2-8°C
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- AI5020000
- CHEMICAL NAME :
- Acetic acid, isothiocyanato-, ethyl ester
- CAS REGISTRY NUMBER :
- 24066-82-8
- BEILSTEIN REFERENCE NO. :
- 0507542
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C5-H7-N-O2-S
- MOLECULAR WEIGHT :
- 145.19
- WISWESSER LINE NOTATION :
- SCN1VO2
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 350 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 depression
- REFERENCE :
- AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 35,314,1929
Safety Information
[ Symbol ]:
GHS07
[ Signal Word ]:
Warning
[ Hazard Statements ]:
H302 + H312 + H332-H315-H319-H335
[ Precautionary Statements ]:
P261-P280-P305 + P351 + P338
[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
[ Hazard Codes ]:
Xn: Harmful;
[ Risk Phrases ]:
R20/21/22;R36/37/38
[ Safety Phrases ]:
S26-S36/37/39
[ RIDADR ]:
UN 2810 6.1/PG 2
[ WGK Germany ]:
3
[ RTECS ]:
AI5020000
[ Hazard Class ]:
6.1
[ HS Code ]:
2930909090
Synthetic Route
Precursor & DownStream
Precursor
DownStream
Customs
[ 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%
Articles
Chem. Pharm. Bull. 49(4) , 391-5, (2001)
o-Aminonitrile or o-aminoester compounds were cyclized to fused pyrimidines by reacting with ethyl iso(thio)cyanatoacetate in pyridine, and then were methylated, halogenated and subsequently displaced...
Addition-cyclization reactions of ethyl isothiocyanatoacetate with carboxylic acid hydrazides. Veverka M and Marchalín M.Collect. Czech. Chem. Commun. 52(1) , 113-19, (1987)
Synthesis of 3-O-amino-2-thiohydantoins. Ryczek J.
J. Heterocycl. Chem. 40(4) , 665-70, (2003)