methyl 2-thiocyanatoacetate

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Names

[ CAS No. ]:
689-77-0

[ Name ]:
methyl 2-thiocyanatoacetate

[Synonym ]:
WLN: NCS1VO1
ACETIC ACID,THIOCYANATO-,METHYL ESTER
methoxycarbonylmethyl thiocyanate
methyl thiocyanatoacetate
Thiocyano-essigsaeure-methyl-ester
Thiocyanatoacetic acid methyl ester
S-Cyan-thioglykolsaeure-methylester
Rhodanessigsaeure-methylester
Thiocyanato-essigsaeure-methylester
Thiocyano-essigsaeure-methyl-ester [German]

Chemical & Physical Properties

[ Density]:
1.244g/cm3

[ Boiling Point ]:
213.3ºC at 760 mmHg

[ Molecular Formula ]:
C4H5NO2S

[ Molecular Weight ]:
131.15300

[ Flash Point ]:
82.8ºC

[ Exact Mass ]:
131.00400

[ PSA ]:
75.39000

[ LogP ]:
0.37368

[ Index of Refraction ]:
1.486

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AJ6320000
CHEMICAL NAME :
Acetic acid, thiocyanato-, methyl ester
CAS REGISTRY NUMBER :
689-77-0
BEILSTEIN REFERENCE NO. :
1751314
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C4-H5-N-O2-S
MOLECULAR WEIGHT :
131.16
WISWESSER LINE NOTATION :
NCS1VO1

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

Safety Information

[ HS Code ]:
2930909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Potassium thiocyanate
  • methyl chloroacetate
  • Methyl acetoacetate

DownStream

  • 2-Thiocyanatopropane
  • Dimethyl dithiodiacetate
  • Acetic acid,2-[(1-methylethyl)dithio]-, methyl ester
  • 3-carbamoylsulfanylpropanamide

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%

Related Compounds

  • methyl 2-[4-methyl-7-(2-oxopropoxy)-2-oxo-2H-3-chromenyl]acetate
  • methyl 2-(N-benzylanilino)acetate
  • Methyl 2-(2-methylphenyl)propanoate
  • methyl 2,4-dicyclopentylquinoline-3-carboxylate
  • methyl 2-(6-methyl-1,2,4,5-tetrazin-3-yl)-3-nitrobenzoate
  • methyl 2-(ethoxycarbonylsulfamoyl)benzoate
  • 5-(1-benzothiophen-2-yl)-1-methyl-1H-pyrazol-4-amine
  • 2-Fluoro-4-iodo-5-(trifluoromethyl)pyridine
  • 4-Fluoro-2-iodo-3-(trifluoromethyl)pyridine
  • Acetamide, 2-(butylthio)-N-(3,4-difluorophenyl)-
  • 7-Bromo-3-methylbenzo[b]thiophene-2-sulfonyl chloride
  • 4-Bromo-2,5-dimethylthiophene-3-sulfonyl chloride
  • [Benzenesulfonyl-(4-cyano-2-ethanesulfonyl-phenyl)-methyl]-carbamic acid tert-butyl ester
  • Ethyl 4-(4-fluorophenyl)-1,2,5,6-tetrahydropyridine-3-carboxylate
  • 2-Thiophenepropanoic acid, I(2)-amino-4-bromo-I+/-,I+/--dimethyl-
  • 4-(4-Fluoro-1H-pyrazol-1-yl)-8-methoxy-2-methylquinoline
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