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8.08154

Thionyl chloride

for synthesis

Synonym(s):

Thionyl chloride, Sulfurous acid dichloride, Sulfurous oxychloride

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About This Item

Empirical Formula (Hill Notation):
Cl2OS
CAS Number:
7719-09-7
Molecular Weight:
118.97
UNSPSC Code:
12352307
EC Index Number:
231-748-8
NACRES:
NA.22
MDL number:
MFCD00011449
Grade:
synthesis grade
Form:
liquid
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grade

synthesis grade

Quality Segment

200

vapor pressure

121 hPa ( 20 °C)

form

liquid

potency

324 mg/kg LD50, oral (Rat)

bp

76 °C/1013 hPa

mp

-104.5 °C

density

1.64 g/cm3 at 20 °C

storage temp.

2-30°C

SMILES string

[S](=O)(Cl)Cl

InChI

1S/Cl2OS/c1-4(2)3

InChI key

FYSNRJHAOHDILO-UHFFFAOYSA-N

General description

Thionyl chloride is an inorganic acid chloride. It is mainly used as a chlorinating agent in organic synthesis for the production of organochlorine compounds.

Application

Thionyl chloride can be used as a catalyst to synthesize:
  • 4-(sulfinylamino)-1,2,4-triazole by reacting with 4-amino-1,2,4-triazole.
  • Isothiazolopyrimidines from aminouracils via cyclization reaction.
  • 1,2,6-triazine S-oxides by reacting with diimines via condensation reactions in the presence of pyridine.
  • 2-oxo-1,3,2-dioxathianes by condensation reaction with alkane-1,3-diols.
  • Cyclic sulfites by reacting with nitroglycols.
  • Microporous organic polymers by aldol self-condensation reaction of di and multiacetyl building blocks.

Analysis Note

Assay (argentometric): ≥ 99.0 %
Identity (IR): passes test

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pictograms

Skull and crossbonesCorrosion
GHS06,GHS05

signalword

Danger

Hazard Classifications

Acute Tox. 3 Inhalation - Acute Tox. 4 Oral - Eye Dam. 1 - Skin Corr. 1A - STOT SE 3

target_organs

Respiratory system

wgk

WGK 1

flash_point_f

Not applicable

flash_point_c

Not applicable

supp_hazards

EUH014,EUH029

Storage Class

6.1D - Non-combustible acute toxic Cat.3 / toxic hazardous materials or hazardous materials causing chronic effects

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

Deleterious substance

pdsc

Substances Subject to be Indicated Names

ishl_indicated

Substances Subject to be Notified Names

ishl_notified

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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