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Basic information
- CAS
7321-55-3- Standard SMILES
CC(C)(C#N)C#N- InChIKey
BCMJJXWXMZYZKN-UHFFFAOYSA-N- Molecular formula
- C5H6N2
- Average molar mass
- 94.11 g/mol
- Monoisotopic mass
- 94.0530982
Names & identifiers
- Preferred name
- 2,2-Dimethylpropanedinitrile
- IUPAC
- 2,2-dimethylpropanedinitrile
- English name
- Dimethylmalononitrile
- Molecular formula
- C5H6N2
- Molecular weight
- 94.11
Names & synonyms
DIMETHYLMALONONITRILE7321-55-32,2-dimethylpropanedinitrilePropanedinitrile, dimethyl-DTXSID20223456DMMN compundRefChem:588571DTXCID20145947628-248-02,2-Dimethylmalononitrile2,2-Dicyanopropanedimethylpropanedinitrile
Show more names
Dimethylmalonitrilemalononitrile,dimethyl-DiMethylMalononitrile 97%propanedinitrile,dimethyl-
Malononitrile, dimethyl-MFCD01321253DimethyldicyanomethaneNSC86109NSC-86109DKA7D8BU8CUNII-DKA7D8BU8C2,2-dimethyl-malononitrile
Database identifiers
- CAS
7321-55-3- PubChem CID
- 23742
- DTXSID
DTXSID20223456- UNII
- DKA7D8BU8C
- EC Number
- 628-248-0
- Nikkaji
- J102.051J
Properties
Computed structural propertiesFilling in
- XLogP
- 0.8
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 131
Physicochemical properties
- Melting point
- 31 · 31-33 °C (lit.)
- Boiling point
- 120 °C/33 · 120 °C/33 mmHg (lit.)
- Density
- 0.969 · 0.9690 (rough estimate)
- refractive index
- 1.54 · 1.5400 (estimate)
- Flash point
- 145 °F · 145 °F
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- form
- powder to lump to clear liquid
- color
- 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
- FDA UNII
- 7 D8BU8C · DKA7D8BU8C
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 6 · GHS06
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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.
Hazard information
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%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 2926 4.1/PG 3
- hs_code
- 2926907090
- risk_code
- 11-23/24/25-36/37/38
- Signal word
Chemistry & industry
Applications
UsesDimethylmalononitrile 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.
Upstream & downstream products
Downstream products
Suppliers76 total
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]
泰州葛林美克医药科技有限公司15366892466 · [email protected]
Related reactions
1 records
Compound notes
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