Methyl 2-cyano-3,3-bis(methylsulfanyl)prop-2-enoate

HCID 319957CAS 3490-92-4

Grundinformationen

Standard-SMILES
COC(=O)C(C#N)=C(SC)SC
InChIKey
SJDBEROAEMAOJW-UHFFFAOYSA-N
Summenformel
C7H9NO2S2
Durchschnittliche Molmasse
203,3 g/mol
Monoisotopische Masse
203,00747088

Namen und Bezeichner

Bevorzugter Name
Methyl 2-cyano-3,3-bis(methylsulfanyl)prop-2-enoate
IUPAC
methyl 2-cyano-3,3-bis(methylsulfanyl)prop-2-enoate
Englischer Name
Methyl 2-cyano-3,3-di(methylthio)acrylate
Summenformel
C7H9NO2S2
Molmasse
203.28

Namen und Synonyme

methyl 2-cyano-3,3-bis(methylsulfanyl)prop-2-enoateRefChem:814339640-355-43490-92-4Methyl 2-cyano-3,3-di(methylthio)acrylatemethyl 2-cyano-3,3-bis(methylthio)acrylateMFCD00067841Methyl 3,3-bis(methylthio)-2-cyanoacrylate2-cyano-3,3-bis-methylsulfanyl-acrylic acid methyl esterMETHYL2-CYANO-3,3-DI(METHYLTHIO)ACRYLATEmethyl 2-cyano-3,3-bis(methylthio)-2-propenoate2-Cyano-3,3-bis-methylsulfanyl-acrylic acidmethyl ester
Weitere Namen anzeigen
AURORA KA-6539ethyl2-cyano-3,3-di(methylthio)acrylateMethyl 3,3-bis(methylsulphanyl)-2-cyanoprop-2-enoate2-Cyano-3,3-bis-ethylsulfanyl-acrylic acid methyl ester2-Propenoic acid,2-cyano-3,3-bis(methylthio)-, methyl ester
methyl 2-cyano-3,3-dimethylthioprop-2-enoateNSC2661052-Propenoic acid, 2-cyano-3,3-bis(methylthio)-, methyl esterSCHEMBL212550DTXSID10313052SJDBEROAEMAOJW-UHFFFAOYSA-NHMS1741F19DAA49092

Datenbank-Bezeichner

CAS
3490-92-4
PubChem CID
319957
DTXSID
DTXSID10313052
EC Number
640-355-4
Nikkaji
J314.840H

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,5
Polarare Oberfläche (TPSA)
101 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
5
Frei drehbare Bindungen
4
Schwere Atome
12

Physikochemische Eigenschaften

Schmelzpunkt
85 °C · 85 °C
Siedepunkt
300.8 · 300.8±42.0 °C(Predicted)
Dichte
1.254 · 1.254±0.06 g/cm3(Predicted)
Aggregatzustand
solid
Farbe
White

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral];H302+H312+H332 (33.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation];H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral];H311 (33.3%): Toxic in contact with skin [Danger Acute toxicity, dermal];H312 (66.7%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H331 (33.3%): Toxic if inhaled [Danger Acute toxicity, inhalation];H332 (66.7%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 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 CategoriesAcute Tox. 4 (66.7%);Acute Tox. 4 (66.7%);Skin Irrit. 2 (66.7%);Eye Irrit. 2A (66.7%);Acute Tox. 4 (66.7%);STOT SE 3 (66.7%)

Sicherheitsdaten

hs_code
2930909899
hazard_class
IRRITANT

Chemie und Industrie

Anbieter25 Anbieter

上海景颜化工科技有限公司13817811078 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
上海柏懿化工有限公司+86-21-54380268
上海嵩爰化工科技有限公司010-1234567 18521000990 · [email protected]

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