Basic information
- CAS
4195-19-1- Standard SMILES
CC(C)(C)C(=O)n1ccnc1- InChIKey
BJUOCCZDOGJHPV-UHFFFAOYSA-N- Molecular formula
- C8H12N2O
- Average molar mass
- 152.19 g/mol
- Monoisotopic mass
- 152.09496301
Names & identifiers
- Preferred name
- 1-(1H-Imidazol-1-yl)-2,2-dimethyl-1-propanone
- IUPAC
- 1-imidazol-1-yl-2,2-dimethylpropan-1-one
- English name
- 1-(Trimethylacetyl)imidazole
- Molecular formula
- C8H12N2O
- Molecular weight
- 152.19
Names & synonyms
4195-19-11-(Trimethylacetyl)imidazoleN-Pivaloylimidazole1-Imidazol-1-yl-2,2-dimethylpropan-1-one1-PivaloylimidazoleImidazole, 1-pivaloyl-1-Pivaloyl-1H-imidazoleXQC3U2797L1-(1H-Imidazol-1-yl)-2,2-dimethyl-1-propanoneDTXSID003378881H-Imidazole, 1-(2,2-dimethyl-1-oxopropyl)-1-Propanone, 1-(1H-imidazol-1-yl)-2,2-dimethyl-
Show more names
1-(TRIMETHYLACETYL)IMIDA1-TRIMETHYLACETYL IMIDAZOLE 97%1-(TRIMETHYLACETYL)IMIDAZOLE 981-(tert-Butoxycarbonyl)-1H-imidazole1-(tert-Butyloxycarbonyl)-1H-imidazole1-(2,2-Dimethyl-propionyl)-1H-imidazole
RefChem:420040DTXCID30288975621-760-51-(1H-Imidazol-1-yl)-2,2-dimethylpropan-1-one1-PIVALOYL-1H-IMIDAZOLMFCD077844271-(1H-Imidazol-1-yl)-2,2-dimethyl-1-propanone; 1-Pivaloyl-1H-imidazole; 1-Pivaloylimidazole1-(TRIMETHYLACETYL)IMIDAZOLE 98
Database identifiers
- CAS
4195-19-1
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 34.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 160
Physicochemical properties
- Melting point
- 47 · 47-52 °C(lit.)
- Boiling point
- 245.7 · 245.7±23.0 °C(Predicted)
- Density
- 1.02 · 1.02±0.1 g/cm3(Predicted)
- Flash point
- 214 °F · 214 °F
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly)
- form
- Solid
- pka
- 4.02 · 4.02±0.10(Predicted)
- color
- White to Off-White
- Stability
- Hygroscopic
- FDA UNII
- 3 U2797L · XQC3U2797L
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- wgk
- 3
- hs_code
- 2933299090
- risk_code
- 36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-39
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses1-Pivaloyl-1H-imidazol (cas# 4195-19-1) is a compound useful in organic synthesis.
Upstream & downstream products
Downstream products
Suppliers30 total
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
上海孚一生物科技有限公司+86 (21) 61124340
凯试（上海）科技有限公司021-50135380 · [email protected]
湖州清硫硅生物科技有限公司13626726938 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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