Basic information
- CAS
1127-29-3- Standard SMILES
CC1(C)C(=NO)C(C)(C)C1=NO- InChIKey
HVHSYOQZXWLFGF-UHFFFAOYSA-N- Molecular formula
- C8H14N2O2
- Average molar mass
- 170.21 g/mol
- Monoisotopic mass
- 170.10552769
Names & identifiers
- Preferred name
- 2,2,4,4-Tetramethylcyclobutane-1,3-dione dioxime
- IUPAC
- N-(3-hydroxyimino-2,2,4,4-tetramethylcyclobutylidene)hydroxylamine
- English name
- 2,2,4,4-tetramethylcyclobutane-1,3-dione dioxime
- Molecular formula
- C8H14N2O2
- Molecular weight
- 170.21
Names & synonyms
1127-29-32,2,4,4-Tetramethylcyclobutane-1,3-dione dioximeN-(3-hydroxyimino-2,2,4,4-tetramethylcyclobutylidene)hydroxylamineNSC14431N-[3-(HYDROXYIMINO)-2,2,4,4-TETRAMETHYLCYCLOBUTYLIDENE]HYDROXYLAMINE2,2,4,4-tetramethylcyclobutane-1,3-dione oxime2,2,4,4-Tetramethyl-1,3-cyclobutanedione dioximeNSC-144312,2,4,4-Tetramethyl-1,3-cyclobutanedione 1,3-dioximeEINECS 214-428-2NSC 14431RV3DQ88PEB
Show more names
1,3-Cyclobutanedione, 2,2,4,4-tetramethyl-, 1,3-dioxime
SCHEMBL11765927DTXSID201216898MFCD03931291AKOS006278943SY499855DB-230938CS-0263200NS00045791
Database identifiers
- CAS
1127-29-3- PubChem CID
- 70779
- DTXSID
DTXSID201216898- UNII
- RV3DQ88PEB
- EC Number
- 214-428-2
- Nikkaji
- J203.367D
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 65.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 216
Physicochemical properties
- Boiling point
- 296.7 · 296.7±33.0 °C(Predicted)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- pka
- 10.87 · 10.87±0.60(Predicted)
- FDA UNII
- 3 DQ88PEB · RV3DQ88PEB
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
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Chemistry & industry
Suppliers2 total
韶远科技(上海)有限公司4000665055 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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