2-(Bis(methylsulfanyl)methylidene)propanedinitrile (HCID 99229)

名称と識別子

優先名称: 2-(Bis(methylsulfanyl)methylidene)propanedinitrile
IUPAC: 2-[bis(methylsulfanyl)methylidene]propanedinitrile
現地名: [ビス(メチルチオ)メチレン]マロノニトリル
英語名: 2-[Di(methylthio)methylidene]malononitrile
分子式: C6H6N2S2
分子量: 170.26

名称と別名

2-[bis(methylsulfanyl)methylidene]propanedinitrile2-(Bis(methylsulfanyl)methylidene)propanedinitrileRefChem:459879689-903-45147-80-82-[DI(METHYLTHIO)METHYLIDENE]MALONONITRILE2-(bis(methylthio)methylene)malononitrile[bis(methylthio)methylene]malononitrilepropanedinitrile, [bis(methylthio)methylene]-MFCD000527302-[bis(methylthio)methylene]malononitrile3,3-bis(methylthio)-2-cyanoacrylonitrile

名称をさらに表示

[ビス(メチルチオ)メチレン]マロノニトリル2-[ビス(メチルチオ)メチレン]プロパンジニトリル2-[ビス(メチルチオ)メチレン]マロノニトリルビス(メチルチオ)メチレンマロノニトリル2-ビス(メチルチオ)メチレンマロノニトリル1,1-ジシアノ-2,2-ビス(メチルチオ)エテン2-[ジ(メチルチオ)メチリデン]マロノニトリル2‐[ジ(メチルチオ)メチリデン]マロノニトリル2,2-ビス(メチルチオ)エテン-1,1-ジカルボニトリル2-(ジ(メチルチオ)メチレン)マロノニトリルジ(メチルチオ)メチレンマロノニトリル2-[ビス(メチルスルファニル)メチリデン]プロパンジニトリルNSC 202533AKOS UB-20051[Bis(methylthio)m[Bis(Methylthio)Methylene]Malo1,1-Dicyano-2,2-bis(methylthio)ethene1,1-Dicyano-2,2-bis(methylthio)ethylene3,3-Di(methylthio)-2-cyanoacrylonitrile

(Bis(methylthio)methylene)propanedinitrile[bis(methylthio)methylene]propanedinitrile[bis(methylsulfanyl)methylene]malononitrilePropanedinitrile, (bis(methylthio)methylene)-[bis(methylsulfanyl)methylidene]propanedinitrile(dimethylthiomethylene)methane-1,1-dicarbonitrileBis(methylthio)methylenemalononitrile2-cyano-3

データベース識別子

CAS: 5147-80-8
PubChem CID: 99229
DTXSID: DTXSID8073344
EC Number: 689-903-4
Nikkaji: J314.838F

物性

構造計算による物性

XLogP: 1.4
極性表面積: 98.2 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 2
重原子数: 10
形式電荷: 0
複雑度: 213

物理化学的性質

融点: 76 · 76-78°C
沸点: 248.3 · 248.3±40.0 °C(Predicted)
比重(密度): 1.256 · 1.256±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
溶解性: DMSO (Slightly), Methanol (Slightly)
外見: solid
色: off-white
InChI: 1S/C6H6N2S2/c1-9-6(10-2)5(3-7)4-8/h1-2H3
InChIKey: FICQFRCPSFCFBY-UHFFFAOYSA-N
SMILES: CS\C(SC)=C(\C#N)C#N
EPAの化学物質情報: Propanedinitrile, [bis(methylthio)methylene]- (5147-80-8)

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 2% (1 of 49) of reports.

Warning

H302 (93.9%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (12.2%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (16.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (16.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (12.2%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (14.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 49 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 49 reports by companies.；There are 6 notifications provided by 48 of 49 reports by companies with hazard statement code(s).；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 (93.9%)；Acute Tox. 4 (12.2%)；Skin Irrit. 2 (16.3%)；Eye Irrit. 2 (16.3%)；Acute Tox. 4 (12.2%)；STOT SE 3 (14.3%)