S-Methylchlorthioformiat

S-methyl chlorothioformate

HCID 17772

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Grundinformationen

CAS: 18369-83-0
Standard-SMILES: CSC(=O)Cl
InChIKey: YPSUCTSXOROPBS-UHFFFAOYSA-N
Summenformel: C2H3ClOS
Durchschnittliche Molmasse: 110,56 g/mol
Monoisotopische Masse: 109,9593136

Namen und Bezeichner

Bevorzugter Name: S-methyl chlorothioformate
IUPAC: S-methyl chloromethanethioate
Lokaler Name: S-Methylchlorthioformiat
Englischer Name: METHYL CHLOROTHIOLFORMATE
Summenformel: C2H3ClOS
Molmasse: 110.56

Namen und Synonyme

S-Methyl chlorothioformateMethyl chlorothioformateRefChem:884257242-244-2Methyl chlorothiolformate18369-83-0S-methyl chloromethanethioatemethylchlorothiolformateMethyl thiochloroformateCarbonochloridothioic acid, S-methyl esterMethyl thiolchloroformateS-Methyl chlorothiolformate

Weitere Namen anzeigen

methylchlorothioformatemethylthiochloroformatemethylthiolchloroformates-methylchlorothioformates-methylchlorothiolformate

S-METHYL CARBONOCHLORIDOTHIOATEThioformic acid, chloro-, methyl esterFORMIC ACID, CHLOROTHIO-, S-METHYL ESTERMETHYLSULFANYLFORMYL CHLORIDEEINECS 242-244-2BRN 0878190chloro(methylsulfanyl)methanoneS-methyl chlorothiocarbonate

Datenbank-Bezeichner

CAS: 18369-83-0、2812-72-8
PubChem CID: 17772
DTXSID: DTXSID40939744
EC Number: 242-244-2
Nikkaji: J49.560C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,7
Polarare Oberfläche (TPSA): 42,4 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 5
Formalladung: 0
Komplexität: 44

Physikochemische Eigenschaften

Siedepunkt: 110 °C · 110 °C(lit.)
Dichte: 1.288 g/mL · 1.288 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.49(lit.)
Flammpunkt: 88 °F · 88 °F
storage temp.: 2 · 2-8°C
InChI: 1S/C2H3ClOS/c1-5-2(3)4/h1H3
InChIKey: YPSUCTSXOROPBS-UHFFFAOYSA-N
SMILES: CSC(Cl)=O

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesFlam. Liq. 3 (100%)；Acute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Corr. 1B (100%)；Acute Tox. 4 (100%)

Sicherheitsdaten

wgk: 3
ridadr: UN 2920 8/PG 2
RTECS-Nr.: LQ7000000
risk_code: 10-20/21/22-34-52/53
hazard_code: C
safety_code: 16-26-27-36/37/39-45-61
hazard_class: 8
packing_group: II
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralAquatic Chronic 1Eye Dam. 1Flam. Liq. 3Skin Corr. 1BSkin Sens. 1STOT SE 2 Inhalation

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenMethyl Chlorothioformate is a chemical reagent used in the synthesis of Mitomycin C (M371900)-tethered phosphorothiaoate oligodeoxynucleotides. for use as an anti-tumor antibiotic. Also used in the preparation of Brassinin (B676950) derivatives, a plant metabolite of great significance due to its dual role both as an effective phytoalexin and as an early biosynthetic precursor of the majority of the phytoalexins.