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Merck
CN

D91683

O,O′-Diethyl chlorothiophosphate

97%

Synonym(s):

O,O′-Diethylthiophosphoric chloride, Diethyl phosphorochloridothionate

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About This Item

Linear Formula:
(CH3CH2O)2P=(S)Cl
CAS Number:
2524-04-1
Molecular Weight:
188.61
NACRES:
NA.22
PubChem Substance ID:
24894270
UNSPSC Code:
12352100
EC Number:
219-755-4
MDL number:
MFCD00009088
Assay:
97%
Form:
liquid

Key Documents

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InChI key

KMJJJTCKNZYTEY-UHFFFAOYSA-N

InChI

1S/C4H10ClO2PS/c1-3-6-8(5,9)7-4-2/h3-4H2,1-2H3

SMILES string

CCOP(Cl)(=S)OCC

vapor pressure

1.4 mmHg ( 50 °C)

assay

97%

form

liquid

refractive index

n20/D 1.472 (lit.)

bp

45 °C/3 mmHg (lit.)

density

1.2 g/mL at 25 °C (lit.)

Quality Level

100

Related Categories

signalword

Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 4 Oral - Aquatic Chronic 2 - Eye Dam. 1 - Skin Corr. 1B

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk

WGK 3

flash_point_f

197.6 °F - closed cup

flash_point_c

92 °C - closed cup

ppe

Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKCX9098
MKCX8613
MKCW2457
MKCQ6572
MKCP2144

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H Kataoka et al.
Journal of chromatography. A, 723(1), 93-99 (1996-02-02)
A selective and sensitive method was developed for the determination of volatile N-nitrosamines by gas chromatography (GC). After denitrosation of N-nitrosamines with hydrobromic acid, the resulting secondary amines were converted into their N-diethylthiophosphoryl derivatives and then measured by GC using
Mateusz Daśko et al.
Drug development research, 80(6), 857-866 (2019-07-14)
In the present work, we described convenient methods for the synthesis of N-thiophosphorylated 3-(4-aminophenyl)-coumarin-7-O-sulfamates as steroid sulfatase (STS) inhibitors. To design the structures of the potential STS inhibitors, molecular modeling techniques were used. A computational docking method was used to
H Kataoka et al.
Biomedical chromatography : BMC, 7(3), 129-133 (1993-05-01)
A selective and sensitive method has been developed for the determination of secondary amines by gas chromatography (GC). After removal of primary amines by the reaction with o-phthaldialdehyde, secondary amines were converted into their N-diethylthiophosphoryl derivatives and then measured by

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