Ethyl carbonisothiocyanatidate

Basic Information

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CAS Number

16182-04-0

Molecular Formula

C4H5NO2S

Molecular Weight

131.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Boiling Point

61°C/6mmHg

Flash Point

50 ºC

Solubility

Soluble in chloroform and ether.

Refractive Index

n20/D 1.500(lit.)

SMILES

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CCOC(=O)N=C=S

InChI

InChI=1S/C4H5NO2S/c1-2-7-4(6)5-3-8/h2H2,1H3

InChIKey

BDTDECDAHYOJRO-UHFFFAOYSA-N

LogP

1.2457

Topological Polar Surface Area

38.66 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

128

Safety Information

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GHS Hazard Pictograms

H226

H315

H317

H319

H331

H334

H335

Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

H315 Causes skin irritation
Skin corrosion/irritation

H317 May cause an allergic skin reaction
Sensitization, Skin

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H331 Toxic if inhaled
Acute toxicity, inhalation

H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled
Sensitization, respiratory

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 6.1 (3) Class 6.1 (3)

Sensitiveness

Moisture Sensitive/Lachrymatory

Synonyms & References

English

NSC-158480
ethyl isothiocyanatocarbonate
O-ethyl carbonisothiocyanatidate
Carbethoxy isothiocyanate
16182-04-0
AMY10862
J-801006
ethoxy-carbonyl isothiocyanate
ethylmethanoyl isothiocyanate
WQY39AV49E
Ethyl isothiocyanatidocarbonate #
Ethoxycarbonyl isothiocyanate, 98%
ethoxy carbonylisothiocyanate
Isothiocyanatoformic Acid Ethyl Ester
ethoxycarbonyli-sothiocyanate
CARBETHOXYISOTHIOCYANATE
ethoxycarbonylisothiocyanat
DTXSID50167253
A26273
J-520459
Ethoxycarbonylisothiocyanate
Carbonisothiocyanatidic acid, ethyl ester
Ethyl isothiocyanatoformate
CARBON(ISOTHIOCYANATIDIC)ACID, ETHYL ESTER
FT-0625742
NSC158480
NSC 158480
Carbon(isothiocyanatidic)acid Ethyl Ester
AB00381
NS00025278
E0440

MDL Number

MFCD00004814

Customs Code

2930909090

FAQ

What is Ethyl carbonisothiocyanatidate (CAS: 16182-04-0)?

Ethyl carbonisothiocyanatidate (CAS: 16182-04-0) is a chemical compound characterized by its unique reactivity and stability. It has the molecular formula C7H9NOS2 and is a colorless to light yellow liquid. This compound exhibits a distinctive smell and is used in various applications due to its reactivity and functional groups.

What are the main uses of Ethyl carbonisothiocyanatidate (CAS: 16182-04-0)?

Ethyl carbonisothiocyanatidate (CAS: 16182-04-0) is primarily used in the synthesis of organic compounds, particularly in the pharmaceutical and agricultural industries. It serves as a key reagent in the preparation of various sulfur-containing compounds, which are essential in drug development and pesticide formulations.

Is Ethyl carbonisothiocyanatidate (CAS: 16182-04-0) safe?

Ethyl carbonisothiocyanatidate (CAS: 16182-04-0) is generally safe when handled with appropriate precautions. However, it is important to follow safety guidelines, including avoiding contact with skin and eyes, and wearing appropriate personal protective equipment. Storage and use should be conducted in a well-ventilated area to minimize inhalation risks.

How should Ethyl carbonisothiocyanatidate (CAS: 16182-04-0) be stored?

Ethyl carbonisothiocyanatidate (CAS: 16182-04-0) should be stored in a cool, dry, and well-ventilated area away from sources of heat and ignition. It should be kept in a sealed container to prevent moisture absorption. Avoid exposure to light and store at room temperature (15-25°C) to maintain its stability and purity.