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ChemicalBook--->CAS DataBase List--->16182-04-0

16182-04-0

16182-04-0 Structure

16182-04-0 Structure
IdentificationMore
[Name]

ETHOXYCARBONYL ISOTHIOCYANATE
[CAS]

16182-04-0
[Synonyms]

CARBETHOXYISOTHIOCYANATE
CARBON(ISOTHIOCYANATIDIC)ACID, ETHYL ESTER
ETHOXYCARBONYL ISOTHIOCYANATE
ETHYL ISOTHIOCYANATOFORMATE
ISOTHIOCYANATOFORMIC ACID ETHYL ESTER
Ethyl isothiocyanatidocarbonate
ETHYL ISOTHIOCYANATOFORMATE,98%
(Ethoxyoxomethyl) isothiocyanate
Ethoxy(oxo)methyl isothiocyanate
Isothiocyanatoformic acid ethyl
Isothiocyanoformic acid ethyl ester
[EINECS(EC#)]

240-318-9
[Molecular Formula]

C4H5NO2S
[MDL Number]

MFCD00004814
[Molecular Weight]

131.15
[MOL File]

16182-04-0.mol
Chemical PropertiesBack Directory
[Appearance]

Light Yellow Oil
[Boiling point ]

56 °C18 mm Hg(lit.)
[density ]

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

n20/D 1.500(lit.)
[Fp ]

123 °F
[storage temp. ]

2-8°C
[solubility ]

Soluble in chloroform and ether.
[Specific Gravity]

1.112
[Sensitive ]

Moisture Sensitive/Lachrymatory
[BRN ]

606091
[InChIKey]

BDTDECDAHYOJRO-UHFFFAOYSA-N
[Uses]

Versatile reagent for organic synthesis.
[CAS DataBase Reference]

16182-04-0(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

T,Xi
[Risk Statements ]

R23:Toxic by inhalation.
R36/37/38:Irritating to eyes, respiratory system and skin .
R42:May cause sensitization by inhalation.
[Safety Statements ]

S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[RIDADR ]

UN 2929 6.1/PG 2
[WGK Germany ]

3
[F ]

9-13-19-21
[HazardClass ]

3
[PackingGroup ]

III
[HS Code ]

29309090
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

4-CHLORO-2-METHYLTHIOPYRAZOLO[1,5-A]1,3,5-TRIAZINE-->ethyl {[(5-bromo-6-methylpyridin-2-yl)amino]carbonothioyl}carbamate-->Ethyl 4-({[(ethoxycarbonyl)amino]methanethioyl}-amino)benzoate-->4-Thiazolecarboxylic acid, 5-[(ethoxycarbonyl)amino]-, ethyl ester-->ethyl {[(3-broMopyridin-2-yl)aMino]carbonothioyl}carbaMate
Hazard InformationBack Directory
[Hazard]

Lachrymator.
[Chemical Properties]

Light Yellow Oil
[Application]

Ethoxycarbonyl isothiocyanate reacts with 2-amino-tetrahydrobenzo[b]thiophene derivatives to yield tetrahydrobenzo[b]thiophen-2-thiourea derivatives.
Ethoxycarbonyl isothiocyanate has been used in the synthesis of:
pyrazolo[1,5-a][1,3,5]triazine derivatives, potential inhibitors of protein kinase CK2
fused thiophene derivatives, having antibacterial and antifungal activities
4-thiouracil derivatives
thiocarbamides from stannylarenes
1,3,5-triazin-2-one-4-thiones from 2-amino-2-oxazolines
N-acylthioureas from aminodeoxy sugars
[Synthesis Reference(s)]

Using Schiff base as a phase transfer catalyst, ethoxycarbonyl isothiocyanate was synthesized by reacting ethyl chloroformate with sodium thiocyanate. www.semanticscholar.org
[General Description]

Ethoxycarbonyl isothiocyanate reacts with 2-amino-tetrahydrobenzo[b]thiophene derivatives to yield tetrahydrobenzo[b]thiophen-2-thiourea derivatives.
Spectrum DetailBack Directory
[Spectrum Detail]

Ethoxycarbonyl Isothiocyanate(16182-04-0)1HNMR
Ethoxycarbonyl Isothiocyanate(16182-04-0)IR1
Ethoxycarbonyl Isothiocyanate(16182-04-0)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

Ethoxycarbonyl isothiocyanate, 97%(16182-04-0)
[Sigma Aldrich]

16182-04-0(sigmaaldrich)
[TCI AMERICA]

Ethoxycarbonyl Isothiocyanate,>95.0%(GC)(16182-04-0)
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