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7719-09-7 molecular structure
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sulfurooyl dichloride

ChemBase ID: 129870
Molecular Formular: Cl2OS
Molecular Mass: 118.9704
Monoisotopic Mass: 117.90469098
SMILES and InChIs

SMILES:
ClS(=O)Cl
Canonical SMILES:
ClS(=O)Cl
InChI:
InChI=1S/Cl2OS/c1-4(2)3
InChIKey:
FYSNRJHAOHDILO-UHFFFAOYSA-N

Cite this record

CBID:129870 http://www.chembase.cn/molecule-129870.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
sulfurooyl dichloride
IUPAC Traditional name
thionyl chloride
Synonyms
Thionyl chloride
Thionyl dichloride
Sulfurous oxychloride
Sulfinyl chloride
sulfinyl dichloride
Dichlorosulfoxide
Sulfur oxide dichloride
Sulfur monoxide dichloride
Sulfuryl(IV) chloride
Thionyl chloride
Thionyl chloride solution
氯化亚砜
亚硫酰氯 溶液
CAS Number
7719-09-7
EC Number
231-748-8
MDL Number
MFCD00011449
Beilstein Number
1209273
PubChem SID
24857637
24868330
162224156
24859269
24859270
24853806
PubChem CID
24386
CHEBI ID
29290
Chemspider ID
22797
Wikipedia Title
Thionyl_chloride

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.7949061  LogD (pH = 7.4) 0.7949061 
Log P 0.7949061  Molar Refractivity 19.4713 cm3
Polarizability 8.383097 Å3 Polar Surface Area 17.07 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
exothermic reaction in water expand Show data source
soluble in benzene, chloroform, CCl4 expand Show data source
Apperance
APHA: ≤50 expand Show data source
clear, colorless to yellow liquid with unpleasant odor expand Show data source
Melting Point
-104.5 °C expand Show data source
-105 °C(lit.) expand Show data source
Boiling Point
74.6 °C expand Show data source
79 °C(lit.) expand Show data source
Flash Point
Non-flammable expand Show data source
Density
1.373 g/mL at 25 °C expand Show data source
1.631 g/mL at 25 °C(lit.) expand Show data source
1.638 g/cm3, liquid expand Show data source
1.64 g/mL at 20 °C expand Show data source
Refractive Index
1.517 (20 °C) expand Show data source
n20/D 1.518(lit.) expand Show data source
Vapor Pressure
97 mmHg ( 20 °C) expand Show data source
Viscosity
0.6 cP expand Show data source
RTECS
XM5150000 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
1836 expand Show data source
2922 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
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German water hazard class
1 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
1 expand Show data source
2 expand Show data source
Risk Statements
14-20/22-29-35 expand Show data source
20/21/22-34-40 expand Show data source
R14, R20/22, R29, R35 expand Show data source
Safety Statements
26-27-28.1-36/37/39-45 expand Show data source
26-36/37/39-45 expand Show data source
S1/2, S26, S30, S36/37/39, S45 expand Show data source
EU Index
016-015-00-0 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
Main Hazard
Water- and moisture- sensitive, reactive.
Never add water to this product as the hydrolysis reaction with water is violent.
expand Show data source
NFPA704
NFPA 704 diagram
0
4
2
W
expand Show data source
GHS Hazard statements
H302-H314-H331 expand Show data source
GHS Precautionary statements
P261-P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 1836 8/PG 1 expand Show data source
UN 2922 8/PG 2 expand Show data source
Supplemental Hazard Statements
Contact with water liberates toxic gas., Reacts violently with water. expand Show data source
Purity
≥90.0% expand Show data source
≥95.0% expand Show data source
≥98% expand Show data source
≥99% expand Show data source
≥99.0% expand Show data source
97% expand Show data source
99.5% expand Show data source
Concentration
2.0 M in methylene chloride expand Show data source
Grade
puriss. expand Show data source
purum expand Show data source
reagent grade expand Show data source
ReagentPlus® expand Show data source
SAJ first grade expand Show data source
SAJ special grade expand Show data source
technical grade expand Show data source
Contains
<5 ppm iron expand Show data source
Linear Formula
SOCl2 expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 447285 external link
Packaging
1 L in glass bottle
100, 500 mL in glass bottle
5 mL in ampule
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC
Sigma Aldrich - 18438 external link
General description
appearance: colorless-yellowish, clear liquid
Sigma Aldrich - 293121 external link
Packaging
100, 800 mL in Sure/Seal™
Sigma Aldrich - 320544 external link
Packaging
1, 2.5 L in PVC coated
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC
Sigma Aldrich - 320536 external link
Packaging
1 L in glass bottle
Sigma Aldrich - 230464 external link
Packaging
1, 2.5 L in glass bottle
5, 100 mL in glass bottle
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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