CAS 26555-40-8 Thiocarbonic acid, anhydrosulphide with methyl thiohypochlorite (HCID 123417)

名称と識別子

優先名称: Thiocarbonic acid, anhydrosulphide with methyl thiohypochlorite
IUPAC: methyl chlorosulfanylformate
現地名: メトキシカルボニルスルフェニルクロリド
英語名: METHOXYCARBONYLSULFENYL CHLORIDE
分子式: C2H3ClO2S
分子量: 126.56

名称と別名

26555-40-8Carbonothioic acid, anhydrosulfide with thiohypochlorous acid (1:1), methyl esterEINECS 247-801-3Thiocarbonic acid, anhydrosulphide with methyl thiohypochloriteDTXSID10181132RefChem:897766DTXCID20103623247-801-3Methoxycarbonylsulfenyl chloridemethyl chlorosulfanylformateMFCD00013648S-Chloro O-methyl thiocarbonate

名称をさらに表示

メトキシカルボニルスルフェニルクロリド(クロロチオ)メタン酸メチルメトキシカルボニルチオクロリド(クロロチオ)ぎ酸メチル塩化メトキシカルボニルスルフェニルチオ炭酸 S-クロロ O-メチル(メトキシカルボニルチオ)クロリド(クロロスルファニル)(メトキシ)メタノンmethylchlorosulfanylformateMethoxycarbonylthio chloride5-CHLORO O-METHYL THIOCARBONATEMETHOXYCARBONYLSULPHENYL CHLORIDEMethoxycarbonylsulfenylChloride>(Chlorosulfanyl)(methoxy)oxomethaneMethoxycarbonylsulfenylchloride,95%Methoxycarbonylsulfenyl chloride,97%

(chlorosulfanyl)(methoxy)methanonehypochlorous (methyl carbonic) thioanhydrideCarbonothioic acid, anhydrosulfide with thiohypochlorous acid, methyl esterSCHEMBL126763(chlorothio)(methoxy)oxomethanemethoxy carbonylsulfenyl chloridemethoxy-carbonylsulfenyl chloridemethoxycarbonyl sulfenyl chloride

データベース識別子

CAS: 26555-40-8
PubChem CID: 123417
DTXSID: DTXSID10181132
EC Number: 247-801-3
Nikkaji: J256.597H

物性

構造計算による物性

XLogP: 1.4
極性表面積: 51.6 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 6
形式電荷: 0
複雑度: 55.5

実験および物理化学的性質

SpringerMaterials PropertiesSchoenflies notation

物理化学的性質

沸点: 133 · 133-134 °C(lit.)
比重(密度): 1.399 g/mL · 1.399 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.481(lit.)
闪点: 130 °F · 130 °F
貯蔵温度: 2 · 2-8°C
溶解性: ジクロロメタンと混和する。
外見: 液体
比重: 1.399 · 1.399
色: 澄んだ鮮やかな黄色
BRN: 1849908 · 1849908
InChI: 1S/C2H3ClO2S/c1-5-2(4)6-3/h1H3
InChIKey: TXJXPZVVSLAQOQ-UHFFFAOYSA-N
SMILES: COC(=O)SCl
CAS データベース: 26555 · 26555-40-8(CAS DataBase Reference)

化学的性質

化学的特性CLEAR BRIGHT YELLOW LIQUID

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H226 (97.8%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesFlam. Liq. 3 (97.8%)

安全データ

F: 10-21
wgk: 3
ridadr: UN 2920 8/PG 2
hs_code: 29309099
risk_code: 10-34
消防法: 危-4-2-III
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: II
Hazard Classifications: Eye Dam. 1Flam. Liq. 3Skin Corr. 1B
ストレージクラス: 3 - Flammable liquids

化学と産業

応用分野 · 2 件

使用Methoxycarbonylsulfenyl chloride is used to prepare 3-[(methoxycarbonyl)dithio]-L-alanine by reacting with L-cysteine. Further, it is used in the synthesis of 3-2 pyridinyldithio propanoic acid hydrazide (PDPH). It serves as an important heterobifunctional crosslinker, which is a crosslinker used to make macromolecule-drug conjugates.

一般的な説明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.