Ethyl N-(thioxomethylene)glycinate

Names

[ 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

Click to get detail 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

Click to get detail 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

Synthesis of new fused pyrimidines by isocyanate and isothiocyanate.

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)