359408
Methoxycarbonylsulfenyl chloride
97%
Synonym(s):
S-Chloro O-methyl thiocarbonate
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About This Item
Linear Formula:
CH3OCOSCl
CAS Number:
Molecular Weight:
126.56
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
247-801-3
Beilstein/REAXYS Number:
1849908
MDL number:
Assay:
97%
Form:
liquid
assay
97%
form
liquid
refractive index
n20/D 1.481 (lit.)
bp
133-134 °C (lit.)
density
1.399 g/mL at 25 °C (lit.)
storage temp.
2-8°C
SMILES string
COC(=O)SCl
InChI
1S/C2H3ClO2S/c1-5-2(4)6-3/h1H3
InChI key
TXJXPZVVSLAQOQ-UHFFFAOYSA-N
General description
Methoxycarbonylsulfenyl chloride is a sulfenyl carbonyl compound. Photoinduced fragmentations of methoxycarbonylsulfenyl chloride is investigated in the gaseous phase by using synchrotron radiation and multicoincidence techniques. The molecular structure and conformational properties of methoxycarbonylsulfenyl chloride is studied in the gas and solid phases by gas electron diffraction, low-temperature X-ray diffraction and vibrational spectroscopy. The anomeric and mesomeric effects in methoxycarbonylsulfenyl chloride is reported.
Application
Methoxycarbonylsulfenyl chloride may be used to prepare 3-[(methoxycarbonyl)dithio]-L-alanine, via reaction with L-cysteine. It is suitable for use in the synthesis of 3-2 pyridinyldithio propanoic acid hydrazide (PDPH), an important heterobifunctional crosslinker widely used in bioconjugate techniques for making macromolecule-drug conjugates.
signalword
Danger
hcodes
Hazard Classifications
Eye Dam. 1 - Flam. Liq. 3 - Skin Corr. 1B
Storage Class
3 - Flammable liquids
wgk
WGK 3
flash_point_f
129.2 °F - closed cup
flash_point_c
54 °C - closed cup
ppe
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
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