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Merck
모든 사진(3)

주요 문서

359408

Sigma-Aldrich

Methoxycarbonylsulfenyl chloride

97%

동의어(들):

S-Chloro O-methyl thiocarbonate

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About This Item

Linear Formula:
CH3OCOSCl
CAS Number:
Molecular Weight:
126.56
Beilstein:
1849908
EC Number:
MDL number:
UNSPSC 코드:
12352100
PubChem Substance ID:
NACRES:
NA.22

분석

97%

양식

liquid

refractive index

n20/D 1.481 (lit.)

bp

133-134 °C (lit.)

density

1.399 g/mL at 25 °C (lit.)

저장 온도

2-8°C

SMILES string

COC(=O)SCl

InChI

1S/C2H3ClO2S/c1-5-2(4)6-3/h1H3

InChI key

TXJXPZVVSLAQOQ-UHFFFAOYSA-N

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일반 설명

Methoxycarbonylsulfenyl chloride is a sulfenyl carbonyl compound.[1] Photoinduced fragmentations of methoxycarbonylsulfenyl chloride is investigated in the gaseous phase by using synchrotron radiation and multicoincidence techniques.[2] 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.[3] The anomeric and mesomeric effects in methoxycarbonylsulfenyl chloride is reported.[1]

애플리케이션

Methoxycarbonylsulfenyl chloride may be used to prepare 3-[(methoxycarbonyl)dithio]-L-alanine, via reaction with L-cysteine.[4] 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.[5]

픽토그램

FlameCorrosion

신호어

Danger

유해 및 위험 성명서

Hazard Classifications

Eye Dam. 1 - Flam. Liq. 3 - Skin Corr. 1B

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point (°F)

129.2 °F - closed cup

Flash Point (°C)

54 °C - closed cup

개인 보호 장비

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


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문서 라이브러리 방문

Christian Starkenmann et al.
Journal of agricultural and food chemistry, 59(17), 9457-9465 (2011-08-23)
The L-cysteine derivatives (R)-2-amino-3-(methyldisulfanyl)propanoic acid (S-methylthio-L-cysteine), (R)-2-amino-3-(propyldisulfanyl)propanoic acid (S-propylthio-L-cysteine), (R)-2-amino-3-(1-propenyldisulfanyl)propanoic acid (S-(1-propenylthio)-L-cysteine), and (R)-2-amino-3-(2-propenyldisulfanyl)propanoic acid (S-allylthio-L-cysteine) were prepared from 3-[(methoxycarbonyl)dithio]-L-alanine, obtained from the reaction of L-cysteine with methoxycarbonylsulfenyl chloride. The occurrence of these S-(+)-alk(en)ylthio-L-cysteine derivatives in onion (Allium cepa L.)
IR, Raman and SERS spectra of 2-(methoxycarbonylmethylsulfanyl)-3, 5-dinitrobenzene carboxylic acid.
Raj A, et al.
Journal of the Brazilian Chemical Society, 20(3), 549-559 (2009)
A SIMPLE AND EFFICIENT SYNTHESIS OF 3-2 PYRIDINYLDITHIO PROPANOIC ACID HYDRAZIDE: A HETEROBIFUNCTIONAL CROSSLINKER.
Saxena R and Manjan MJ.
International Journal of Pharmacy and Pharmaceutical Sciences, 4 (2012)
Mauricio F Erben et al.
The journal of physical chemistry. A, 111(33), 8062-8071 (2007-07-31)
Total ion yield spectra and photoinduced fragmentations following S 2p, Cl 2p, and O 1s inner shell excitations of methoxycarbonylsulfenyl chloride, CH(3)OC(O)SCl, have been studied in the gaseous phase by using synchrotron radiation and multicoincidence techniques, which include photoelectron-photoion coincidence
Mauricio F Erben et al.
Inorganic chemistry, 41(5), 1064-1071 (2002-03-05)
The molecular structure and conformational properties of methoxycarbonylsulfenyl chloride, CH(3)OC(O)SCl, were determinated in the gas and solid phases by gas electron diffraction, low-temperature X-ray diffraction, and vibrational spectroscopy. Furthermore, quantum chemical calculations were performed. Experimental and theoretical methods result in

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