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542-90-5

542-90-5 Structure

542-90-5 Structure
IdentificationMore
[Name]

Ethylthiocyanate
[CAS]

542-90-5
[Synonyms]

ETHYL RHODANATE
ETHYL RHODANIDE
Ethyl sulfocyanate
ETHYL THIOCYANATE
THIOCYANIC ACID ETHYL ESTER
Aethylrhodanid
ai3-18429
Ethane, thiocyanato-
Ethylthiokyanat
ethylthiokyanat(czech)
thiocyanato-ethan
Thiocyanato-ethane
ethyl rhodonate
ethyl sulfocyanide
ethyl thiocyanide
[EINECS(EC#)]

208-833-3
[Molecular Formula]

C3H5NS
[MDL Number]

MFCD00001834
[Molecular Weight]

87.14
[MOL File]

542-90-5.mol
Chemical PropertiesBack Directory
[Appearance]

Ethyl thiocyanate is a liquid. Onion odor
[Melting point ]

-85.5°C
[Boiling point ]

145 °C(lit.)
[density ]

1.012 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.462(lit.)
[Fp ]

109 °F
[storage temp. ]

Flammables area
[form ]

liquid
[color ]

Colorless to Almost colorless
[BRN ]

1737620
[Dielectric constant]

29.6(20℃)
[InChI]

InChI=1S/C3H5NS/c1-2-5-3-4/h2H2,1H3
[InChIKey]

WFCLYEAZTHWNEH-UHFFFAOYSA-N
[SMILES]

S(CC)C#N
[LogP]

1.011 (est)
[CAS DataBase Reference]

542-90-5(CAS DataBase Reference)
[NIST Chemistry Reference]

Thiocyanic acid, ethyl ester(542-90-5)
[EPA Substance Registry System]

542-90-5(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Exclamation Mark (GHS07)
GHS02,GHS07
[Signal word ]

Warning
[Hazard statements ]

H226-H302+H312+H332
[Precautionary statements ]

P210-P280-P301+P312+P330-P302+P352+P312-P304+P340+P312
[Hazard Codes ]

Xn
[Risk Statements ]

R10:Flammable.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37:Wear suitable protective clothing and gloves .
S24/25:Avoid contact with skin and eyes .
S16:Keep away from sources of ignition-No smoking .
[RIDADR ]

UN 2929 6.1/PG 2
[WGK Germany ]

3
[RTECS ]

XK9900000
[F ]

13-19-21
[TSCA ]

TSCA listed
[HazardClass ]

3.2
[PackingGroup ]

III
[HS Code ]

29309070
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Flam. Liq. 3
[Safety Profile]

Poison by ingestion, subcutaneous, intraperitoneal, and intravenous routes. When heated to decomposition it emits very toxic fumes of NO, and SOx. See also THIOCYANATES.
[Hazardous Substances Data]

542-90-5(Hazardous Substances Data)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

diazoethane-->thiourethane-->Thiocyanic acid-->xanthogenamide-->Triethyloxonium tetrafluoroborate-->Ethyl isothiocyanate-->Bromoethane-->Ethanol-->Ethyl p-toluenesulfonate-->Potassium thiocyanate
[Preparation Products]

Ethanesulfonyl chloride-->Ethyl chlorothioformate-->1-Piperidinecarbonitrile-->1,3-dihydrobenzo[c]thiophene-->5-(Ethylthio)-1H-tetrazole
Hazard InformationBack Directory
[General Description]

Liquid. Used as an agricultural insecticide.
[Reactivity Profile]

Nitric acid violently oxidized a thiocyanate solution [Bretherick, 1979 p. 121]. Caution should be exercised in treating a thiocyanate with an oxidizing agent such as a peroxide or chlorate as such mixtures have been known to explode.
[Health Hazard]

This material is highly toxic if ingested.
[Potential Exposure]

This thiocyanate material is used as an agricultural insecticide
[Fire Hazard]

When heated to decomposition, ETHYLTHIOCYANATE emits very toxic fumes of oxides of nitrogen and sulfur.
[First aid]

Treatment is as for aliphatic thiocyanates. Because cyanide is probably largely responsible for poisonings; antidotal measures against cyanide should be instituted promptly, for including moving the victim to fresh air. Call emergency medical care. If not breathing, give artificial respiration. IF breathing is difficult, give oxygen. In case of contact with material, immediately flush skin or eyes with running water for at least 15 minutes. Speed in removing material from skin is of extreme importance. Remove and isolate contaminated clothing and shoes at the site. Keep victim quiet and maintain normal body temperature. Effects may be delayed; keep victim under observation
[Shipping]

UN2929 Toxic liquids, flammable, organic, n.o.s., Hazard class: 6.1; Labels: 6.1-Poison Inhalation Hazard, 3-Flammable liquid, Technical Name Required
[Incompatibilities]

Incompatible with oxidizers (chlorates, nitrates, peroxides, permanganates, perchlorates, chlorine, bromine, fluorine, etc.); contact may cause fires or explosions. Keep away from alkaline materials, strong bases, strong acids, oxoacids, and epoxides. Esters are generally incompatible with nitrates. Moisture may cause hydrolysis or other forms of decomposition. Caution should be exercised in treating a thiocyanate with an oxidizing agent such as a peroxide or chlorate as such mixtures have been known to explode
[Chemical Properties]

clear colorless liquid
[Chemical Properties]

Ethyl thiocyanate is a liquid. Onion odor
[Waste Disposal]

In accordance with 40CFR 165 recommendations for the disposal of pesticides and pesticide containers. Must be disposed properly by following package label directions or by contacting your local or federal environmental control agency, or by contacting your regional EPA office
[Uses]

Ethyl thiocyanate was used in the synthesis of hydrogen cyanide by undergoing in situ reduction with dithiothreitol.
[Purification Methods]

Fractionally distil the ester at atmospheric pressure. [Beilstein 2 IV 1218.] (CARE LACHRYMATOR.)
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Thiocyanic acid ethyl ester(542-90-5).msds
Spectrum DetailBack Directory
[Spectrum Detail]

Ethylthiocyanate(542-90-5)MS
Ethylthiocyanate(542-90-5)1HNMR
Ethylthiocyanate(542-90-5)13CNMR
Ethylthiocyanate(542-90-5)IR1
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Ethyl thiocyanate, 99%(542-90-5)
[Sigma Aldrich]

542-90-5(sigmaaldrich)
[TCI AMERICA]

Thiocyanic Acid Ethyl Ester,>98.0%(GC)(542-90-5)
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