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Ethanesulfonyl chloride

Ethanesulfonyl chloride structure

CAS No:
594-44-5
Formula:
C2H5ClO2S
Chemical Name:
Ethanesulfonyl chloride
Synonyms:
Ethanesulfonyl chloride;Ethylsulfonyl chloride;1-Ethanesulfonyl chloride;Ethylsulfuryl chloride;NSC 8649;Chloroethylsulfone
Categories:
Chemical Reagents > Organic Reagents

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Description

clear light brownish to pinkish-purple liquid

Ethanesulfonyl chloride Basic Attributes

Molecular Weight：

128.58

Exact Mass：

128.58

BRN：

773865

EC Number：

209-842-5

UNII：

B56ZOC898A

NSC Number：

8649

DSSTox ID：

DTXSID0060486

Color/Form：

Oil|Pale yellow

HScode：

29049090

Characteristics

PSA：

42.5

XLogP3：

1.76 (est)

Appearance：

Clear colorless to light yellow or light brownish to pinkish-purple Liquid

Density：

1.351 g/cm³ @ Temp: 24 °C

Melting Point：

-70°C

Boiling Point：

174 °C

Flash Point：

182 °F

Refractive Index：

1.452-1.454

Water Solubility：

Decomposes in water

Storage Conditions：

Storage temperature: no restrictions.

Vapor Pressure：

1.29 mm Hg at 25 deg C (est)

Henrys Law Constant：

Henry's Law constant = 5.82X10-5 atm-cu m/mol at 25 °C (est)

Experimental Properties：

Hydroxyl radical reaction rate constant = 7.45X10-12 cu cm/molec-sec at 25 °C (est)

Safety Information

Packing level：

Ⅱ

Hazard category：

6.1

Transport codes：

UN 2927 6.1/PG 2

wgk germany：

hazard class code：

21/22-23-34-22

safety instructions：

26-36/37/39-45

RTECS Number：

KI8050000

Marks：

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P260, P262, P264, P270, P271, P280, P284, P301+P312, P301+P330+P331, P302+P350, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P320, P321, P322, P330, P361, P363, P403+P233, P405, P501

Hazard Statements：

H302

Disposal Methods：

SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.

GHS Classification：

|Danger|H302 (96.36%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P262, P264, P270, P271, P280, P284, P301+P312, P301+P330+P331, P302+P350, P303+P361+P353, P304+P340, P305+P351+P338, P310, P320, P321, P322, P330, P361, P363, P403+P233, 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.

Preventive Measures：

SRP: Contaminated protective clothing should be segregated in such a manner so that there is no direct personal contact by personnel who handle, dispose, or clean the clothing. Quality assurance to ascertain the completeness of the cleaning procedures should be implemented before the decontaminated protective clothing is returned for reuse by the workers. Contaminated clothing should not be taken home at end of shift, but should remain at employee's place of work for cleaning.

Irritations：

/Ethanesulfonyl chloride is a/ lachrymator ...

Toxicity

Non-Human Toxicity Values：

LD50 rat oral 360 mg/kg|LC50 rat inhalation 86 ppm/4 hr

Drug Information

Human Toxicity Excerpts：

/SIGNS AND SYMPTOMS/ /Ethanesulfonyl chloride is a/ lachrymator ...

Ethanesulfonyl chloride Use and Manufacturing

Methods of Manufacturing

Derived from the reaction of ethyl thiocyanate and chlorine. Suspend 200 g of ethyl thiocyanate in 200 ml of water, and pass in chlorine gas under vigorous stirring at 0-5° C. until the reaction liquid appears persistently yellow. Then the chlorine is driven out by compressed air, the oil layer is separated, extracted with ether, and washed with sodium disulfide and sodium carbonate successively. After drying with calcium chloride, fractional distillation under reduced pressure, 71-72 ℃ (2.67kPa) distillate is collected, the product is about 230g. The yield is about 79%.

Uses

Used as medicine and pesticide intermediate

Production

Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#7154]

Manufacturing Info：

Ethanesulfonyl chloride: ACTIVE

Computed Properties

Molecular Weight:128.58
XLogP3:0.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:127.9698783
Monoisotopic Mass:127.9698783
Topological Polar Surface Area:42.5
Heavy Atom Count:6
Complexity:108
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Ethane

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