1,1,2,2-Cyclopropanetetracarbonitrile, 3,3-dimethyl-
Basic information
- CAS
13017-67-9- Standard SMILES
CC1(C)C(C#N)(C#N)C1(C#N)C#N- InChIKey
JIEYOKFTSKQLLP-UHFFFAOYSA-N- Molecular formula
- C9H6N4
- Average molar mass
- 170.17 g/mol
- Monoisotopic mass
- 170.05924621
Names & identifiers
- Preferred name
- 1,1,2,2-Cyclopropanetetracarbonitrile, 3,3-dimethyl-
- IUPAC
- 3,3-dimethylcyclopropane-1,1,2,2-tetracarbonitrile
- English name
- 3,3-Dimethylcyclopropane-1,1,2,2-tetracarbonitrile
- Molecular formula
- C9H6N4
- Molecular weight
- 170.17
Names & synonyms
3,3-dimethylcyclopropane-1,1,2,2-tetracarbonitrile13017-67-91,1,2,2-CYCLOPROPANETETRACARBONITRILE, 3,3-DIMETHYL-NSC 98303BRN 257634348UB43D9S2NSC-983033,3-Dimethyl-1,1,2,2-cyclopropanetetracarbonitrileDTXSID401563783-09-00-04848 (Beilstein Handbook Reference)RefChem:196640DTXCID6078869
Show more names
1,1,2,2-Tetracyano-3,3-dimethylcyclopropaneNSC98303UNII-48UB43D9S2AKOS0054544741,2,2-Tetracyano-3,3-dimethylcyclopropaneST4128752WLN: L3TJ ACN ACN BCN BCN C1 C11,2,2-Cyclopropanetetracarbonitrile, 3,3-dimethyl-
Database identifiers
- CAS
13017-67-9- PubChem CID
- 25609
- DTXSID
DTXSID40156378- UNII
- 48UB43D9S2
- EC Number
- 688-633-4
- Nikkaji
- J50.245F
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 95.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 385
Physicochemical properties
- FDA UNII
- 48 UB43D9S2 · 48UB43D9S2
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
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Related reactions
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Compound notes
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