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Ethyl isothiocyanate

Ethyl isothiocyanate structure

CAS No:
542-85-8
Formula:
C3H5NS
Chemical Name:
Ethyl isothiocyanate
Synonyms:
Ethane,isothiocyanato-;Isothiocyanic acid,ethyl ester;Isothiocyanatoethane;Ethyl isothiocyanate;Ethyl mustard oil;NSC 84212;Ethyl thioisocyanate;1-Isothiocyanatoethane
Categories:
Chemical Reagents > Organic Reagents

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Description

clear colorless to slightly yellow liquid Colorless liquid; sharp, mustard-like aroma.

Colourless liquid; Sharp mustard-like aroma

Ethyl isothiocyanate is an isothiocyanate having an ethyl group attached to the nitrogen. It has a role as an allergen.

Ethyl isothiocyanate Basic Attributes

Molecular Weight：

87.14

Exact Mass：

87.14

BRN：

1737705

EC Number：

208-831-2

UNII：

3284MJ2T8P

NSC Number：

84212

DSSTox ID：

DTXSID2060258

HScode：

2930909090

Characteristics

PSA：

44.4

XLogP3：

1.5

Appearance：

Clear colorless to slightly yellow Liquid

Density：

0.9±0.1 g/cm3

Melting Point：

-5.9 °C

Boiling Point：

131.5 °C

Flash Point：

90 °F

Refractive Index：

1.486

Water Solubility：

Reacts with water. soluble in chlorinated and aromatic hydrocarbons. Miscible in ethanol and ether.

Storage Conditions：

Flammables area

Vapor Pressure：

11.42 mmHg

Safety Information

Packing level：

Ⅲ

Hazard category：

6.1

Transport codes：

UN 3286 3/PG 2

wgk germany：

hazard class code：

10-23/24/25-34-42/43-50-36/37

safety instructions：

23-26-36/37/39-45-61-16-7/9

RTECS Number：

NX8590000

Marks：

T,N,F

Precautionary statement(s)：

P261-P273-P280-P301 + P310-P305 + P351 + P338-P310

Hazard Statements：

H226-H301-H311-H314-H331-H334-H400

GHS Classification：

|Danger|H226 (94.55%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P272, P273, P280, P284, P285, P301+P310, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P304+P341, P305+P351+P338, P310, P311, P312, P320, P321, P322, P330, P333+P313, P342+P311, P361, P363, P370+P378, P391, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 55 companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

ethyl isothiocyanate

Ethyl isothiocyanate Use and Manufacturing

Uses

Military poison gas.

Manufacturing Info：

Ethane, isothiocyanato-: ACTIVE

Use Classification：

Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:87.15
XLogP3:1.5
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:87.01427034
Monoisotopic Mass:87.01427034
Topological Polar Surface Area:44.4
Heavy Atom Count:5
Complexity:53.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Downstream Products

Ethylamine

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QINGDAO OUCHEM TRADE CO,LTD. Contact Supplier

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CAS No.: 542-85-8

Grade: Industrial Grade

Content: 99%

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Ethyl isothiocyanate

CAS No.: 542-85-8

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37 Suppliers of Ethyl isothiocyanate