Methyl 2-cyano-3,3-bis(methylsulfanyl)prop-2-enoate (HCID 319957)

名称と識別子

優先名称: Methyl 2-cyano-3,3-bis(methylsulfanyl)prop-2-enoate
IUPAC: methyl 2-cyano-3,3-bis(methylsulfanyl)prop-2-enoate
英語名: Methyl 2-cyano-3,3-di(methylthio)acrylate
分子式: C7H9NO2S2
分子量: 203.28

名称と別名

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

名称をさらに表示

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

データベース識別子

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

物性

構造計算による物性

XLogP: 1.5
極性表面積: 101 Å²
水素結合供与体数: 0
水素結合受容体数: 5
回転可能結合数: 4
重原子数: 12
形式電荷: 0
複雑度: 245

物理化学的性質

融点: 85 °C · 85 °C
沸点: 300.8 · 300.8±42.0 °C(Predicted)
比重(密度): 1.254 · 1.254±0.06 g/cm3(Predicted)
外見: solid
色: White

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

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%)