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2524-03-0 molecular structure
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dimethyl chloro(sulfanylidene)phosphonite

ChemBase ID: 123276
Molecular Formular: C2H6ClO2PS
Molecular Mass: 160.559601
Monoisotopic Mass: 159.95146474
SMILES and InChIs

SMILES:
P(=S)(Cl)(OC)OC
Canonical SMILES:
COP(=S)(OC)Cl
InChI:
InChI=1S/C2H6ClO2PS/c1-4-6(3,7)5-2/h1-2H3
InChIKey:
XFBJRFNXPUCPKU-UHFFFAOYSA-N

Cite this record

CBID:123276 http://www.chembase.cn/molecule-123276.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dimethyl chloro(sulfanylidene)phosphonite
IUPAC Traditional name
dimethyl chloro(sulfanylidene)phosphonite
Synonyms
O,O-dimethyl phosphorochloridothioate
Dimethyl phosphorochloridothionate
Dimethyl chlorothiophosphate
氯硫代磷酸二甲酯
二甲基硫代磷酰氯
CAS Number
2524-03-0
EC Number
219-754-9
MDL Number
MFCD00008353
PubChem SID
24893472
162217629
PubChem CID
17304

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 17304 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.3910835  LogD (pH = 7.4) 1.3910835 
Log P 1.3910835  Molar Refractivity 35.1791 cm3
Polarizability 14.438358 Å3 Polar Surface Area 18.46 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
66-67 °C/16 mmHg(lit.) expand Show data source
Flash Point
105 °C expand Show data source
221 °F expand Show data source
Density
1.322 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.482(lit.) expand Show data source
Vapor Pressure
0.67 psi ( 20 °C) expand Show data source
RTECS
TD1830000 expand Show data source
European Hazard Symbols
Toxic Toxic (T) expand Show data source
UN Number
2267 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
23/24/25-34 expand Show data source
Safety Statements
23-26-36/37/39-45 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H301-H311-H314-H331 expand Show data source
GHS Precautionary statements
P261-P280-P301 + P310-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 2267 6.1/PG 2 expand Show data source
Purity
97% expand Show data source
Linear Formula
(CH3O)2P(S)Cl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - D152951 external link
Packaging
100 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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