2,2-Dimethylpropanedinitrile

HCID 23742

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Grundinformationen

CAS: 7321-55-3
Standard-SMILES: CC(C)(C#N)C#N
InChIKey: BCMJJXWXMZYZKN-UHFFFAOYSA-N
Summenformel: C5H6N2
Durchschnittliche Molmasse: 94,11 g/mol
Monoisotopische Masse: 94,0530982

Namen und Bezeichner

Bevorzugter Name: 2,2-Dimethylpropanedinitrile
IUPAC: 2,2-dimethylpropanedinitrile
Englischer Name: Dimethylmalononitrile
Summenformel: C5H6N2
Molmasse: 94.11

Namen und Synonyme

DIMETHYLMALONONITRILE7321-55-32,2-dimethylpropanedinitrilePropanedinitrile, dimethyl-DTXSID20223456DMMN compundRefChem:588571DTXCID20145947628-248-02,2-Dimethylmalononitrile2,2-Dicyanopropanedimethylpropanedinitrile

Weitere Namen anzeigen

Dimethylmalonitrilemalononitrile,dimethyl-DiMethylMalononitrile 97%propanedinitrile,dimethyl-

Malononitrile, dimethyl-MFCD01321253DimethyldicyanomethaneNSC86109NSC-86109DKA7D8BU8CUNII-DKA7D8BU8C2,2-dimethyl-malononitrile

Datenbank-Bezeichner

CAS: 7321-55-3
PubChem CID: 23742
DTXSID: DTXSID20223456
UNII: DKA7D8BU8C
EC Number: 628-248-0
Nikkaji: J102.051J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,8
Polarare Oberfläche (TPSA): 47,6 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 7
Formalladung: 0
Komplexität: 131

Physikochemische Eigenschaften

Schmelzpunkt: 31 · 31-33 °C (lit.)
Siedepunkt: 120 °C/33 · 120 °C/33 mmHg (lit.)
Dichte: 0.969 · 0.9690 (rough estimate)
Brechungsindex: 1.54 · 1.5400 (estimate)
Flammpunkt: 145 °F · 145 °F
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Aggregatzustand: powder to lump to clear liquid
Farbe: White or Colorless to Light yellow to Light orange
InChI: InChI=1S/C5H6N2/c1-5(2,3-6)4-7/h1-2H3
InChIKey: BCMJJXWXMZYZKN-UHFFFAOYSA-N
SMILES: C(#N)C(C)(C)C#N

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]；H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, 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 42 reports by companies from 5 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. 3 (100%)；Acute Tox. 3 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 3 (100%)；STOT SE 3 (97.6%)

Sicherheitsdaten

wgk: 3
ridadr: UN 2926 4.1/PG 3
hs_code: 2926907090
risk_code: 11-23/24/25-36/37/38
hazard_code: F,T
safety_code

Chemie und Industrie

Anwendungen

VerwendenDimethylmalononitrile may be employed as a starting reagent in the synthesis of bisoxazolines and (4′S,5′S)-2,2-bis[4′-hydroxymethyl-5′-phenyl-1′,3′-oxazolin-2′-yl]propane.

Vor- und nachgelagerte Produkte

Nachgelagerte Produkte

Oxazole, 2,2'-(1-methylethylidene)bis[4,5-dihydro-4-methyl-, (4S,4'S)-(S)-4,5-Dihydro-2-(2-((S)-4,5-dihydro-4-isopropyloxazol-2-yl)propan-2-yl)-4-isopropyloxazole (S,S)-(-)-2,2'-Isopropylidenebis(4-tert-butyl-2-oxazoline)

Anbieter76 Anbieter

陕西凯尔凯医药科技有限公司029-2148545164 17392779578 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

陕西格列弗生物科技研究有限责任公司18409274651; 13892423764 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

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