Grundinformationen
- Standard-SMILES
Cc1nccn1C- InChIKey
GIWQSPITLQVMSG-UHFFFAOYSA-N- Summenformel
- C5H8N2
- Durchschnittliche Molmasse
- 96,13 g/mol
- Monoisotopische Masse
- 96,06874826
Überblick
1,2-dimethylimidazole is a member of imidazoles.
Namen und Bezeichner
- Bevorzugter Name
- 1,2-Dimethylimidazole
- IUPAC
- 1,2-dimethylimidazole
- Lokaler Name
- 1,2-Dimethylimidazol
- Englischer Name
- 1,2-Dimethylimidazole
- Summenformel
- C5H8N2
- Molmasse
- 96.13
Namen und Synonyme
1,2-Dimethylimidazole1739-84-01H-Imidazole, 1,2-dimethyl-Q41BC3GRJBNSC-111174DTXSID2061939RefChem:411784DTXCID3035551217-101-21,2-Dimethyl-1H-imidazoleImidazole, 1,2-dimethyl-N,2-Dimethylimidazole
Weitere Namen anzeigen
DiMethyliMidazole1,2-dimethyl-1h-imidazol39-41℃1,2-DimethyLLupragen DMILUPRAGEN(R) DMIAKOS BBS-00004287
MFCD00005294NSC 1111741,2-dimethylimidazol1,2-Dimethylimidazole, >98%1H-Imidazole, dimethyl-EINECS 217-101-2UNII-Q41BC3GRJBNSC111174
Datenbank-Bezeichner
- CAS
1739-84-0- PubChem CID
- 15617
- DTXSID
DTXSID2061939- ChEBI
CHEBI:190967- UNII
- Q41BC3GRJB
- EC Number
- 217-101-2
- Nikkaji
- J132.800J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,4
- Polarare Oberfläche (TPSA)
- 17,8 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 63,1
Experimentelle und physikochemische Eigenschaften
Chemical ClassesNitrogen Compounds -> Imidazoles
DrugsPharmaceuticals -> Listed in ZINC15
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
Density1.084 @25 °C
Boiling Point204 °C @760 [mm Hg]
Vapor Pressure1 [mm Hg] @20 °C
Physical Description
Liquid; Other Solid
Solid; mp = 37-39 deg C; [Alfa Aesar MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 37 · 37-39 °C (lit.)
- Siedepunkt
- 204 °C · 204 °C (lit.)
- Dichte
- 1.084 g/mL · 1.084 g/mL at 25 °C (lit.)
- Dampfdruck
- 1 mm · 1 mm Hg ( 20 °C)
- Brechungsindex
- 1.5 · 1.5000 (estimate)
- Flammpunkt
- 198 °F · 198 °F
- storage temp.
- 30 °C · Store below +30°C.
- pka
- 7.76 · 7.76±0.25(Predicted)
- Aggregatzustand
- Low Melting Mass
- Wichte
- 1.084 · 1.084
- Farbe
- Colorless to yellow
- PH
- 12.6 · 12.6 (500g/l, H2O, 20℃)
- Geruch (Odor)
- Amine-like odor
- Wasserlöslichkeit
- Soluble in water.
- BRN
- 108457 · 108457
- Henry's Law Constant
- 4.3 · 4.3×101 mol/(m3Pa) at 25℃, Du et al. (2017)
- InChI
- 1S/C5H8N2/c1-5-6-3-4-7(5)2/h3-4H,1-2H3
- InChIKey
- GIWQSPITLQVMSG-UHFFFAOYSA-N
- SMILES
- Cc1nccn1C
- LogP
- 0.11 at · 0.11 at 25℃
- CAS Datenbank
- 1739 · 1739-84-0(CAS DataBase Reference)
- NIST chemische Informationen
- 1 H-Imidazole, · 1H-Imidazole, 1,2-dimethyl-(1739-84-0)
- EPA chemische Informationen
- 1 H-Imidazole, · 1H-Imidazole, 1,2-dimethyl- (1739-84-0)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H302: Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P332+P317, P362+P364, and P501 (click each P-code to see the statement)
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P354+P338, P317, P318, P321, P330, P332+P317, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Gefahrenhinweise
Regulatory Information
Chemical: 1H-Imidazole, 1,2-dimethyl-
1H-Imidazole, 1,2-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1H-Imidazole, 1,2-dimethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 05-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/11565
1,2-Dimethylimidazole: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryCauses tremor and convulsions in intraperitoneal lethal-dose studies of mice; [RTECS] A skin and strong eye irritant (may cause eye injury); Harmful by ingestion; [Alfa Aesar MSDS]
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute toxicity - category 4
Acute Tox. 4 *
Sicherheit und Schutzausrüstung
Protective Action Criteria (PAC)
3.9 [mg/m3]
43 [mg/m3]
260 [mg/m3]
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 3263 8/PG 2
- hs_code
- 29332990
- RTECS-Nr.
- NI4838854
- risk_code
- 22-38-41
- Toxizität
- LD50 orally in Rabbit: 1300 mg/kg
- hazard_code
- Xn,Xi
- safety_code
- 24-26-2
- hazard_class
- 8
- packing_group
- III
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2
- Selbstentzündungstemperatur
- 896 °F
Chemie und Industrie
Verwendung und Herstellung
U.S. Production2023: 1,000,000 - <2,500,000 lb
Consumer UsesCatalyst
Industry UsesNot Known or Reasonably Ascertainable
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
1H-Imidazole, 1,2-dimethyl-: ACTIVE
Anwendungen
Verwenden1,2-Dimethylimidazole is used in the synthesis of 1,2-dimethyl-3-n-butylimidazoliumchloride and 1,2-dimethyl-3-n-propylimidazolium chloride. It also can be used in the synthesis of 1-(2-methoxyethyl)-2,3-dimethylimidazolium chloride and hexafluorophosphate salts.
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