Grundinformationen
- Standard-SMILES
Cn1cnc(S(=O)(=O)Cl)c1- InChIKey
KXUGUWTUFUWYRS-UHFFFAOYSA-N- Summenformel
- C4H5ClN2O2S
- Durchschnittliche Molmasse
- 180,61 g/mol
- Monoisotopische Masse
- 179,97602608
Namen und Bezeichner
- Bevorzugter Name
- 1-methyl-1H-imidazole-4-sulfonyl chloride
- IUPAC
- 1-methylimidazole-4-sulfonyl chloride
- Englischer Name
- 1-Methyl-1H-imidazole-4-sulfonyl chloride
- Summenformel
- C4H5ClN2O2S
- Molmasse
- 180.61
Namen und Synonyme
1-methyl-1H-imidazole-4-sulfonyl chloride137049-00-4DTXSID30371679RefChem:231486DTXCID40322713673-082-41-methylimidazole-4-sulfonyl Chloride1h-imidazole-4-sulfonyl chloride, 1-methyl-1-methyl-1h-imidazole-4-sulphonyl chlorideMFCD00068060chloro(1-methylimidazol-4-yl)sulfonebuttpark 27\06-11
Weitere Namen anzeigen
1-Methyl-1H-iMidazol-4-sulfonyl chloride1-Methylimidazole-4-sulfonylchloride,95%
1-methylimidazole-4-sulfonylchloride1-Methylimidazole-4-sulphonyl chloride1h-imidazole-4-sulfonylchloride,1-methyl-4-(Chlorosulphonyl)-1-methyl-1H-imidazole1h-imidazole-4-sulfonylchloride,1-methyl-(9ci)1-methyl-1h-imidazole-4-sulfonyl chloride, 95+%SCHEMBL212457KXUGUWTUFUWYRS-UHFFFAOYSA-N
Datenbank-Bezeichner
- CAS
137049-00-4- PubChem CID
- 2736887
- DTXSID
DTXSID30371679- EC Number
- 673-082-4
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,4
- Polarare Oberfläche (TPSA)
- 60,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 210
Physikochemische Eigenschaften
- Schmelzpunkt
- 88 · 88-91°C
- Siedepunkt
- 366.9 · 366.9±15.0 °C(Predicted)
- Dichte
- 1.6 · 1.60±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- Löslichkeit
- DMSO (Slightly)
- Aggregatzustand
- Solid
- pka
- 0.18 · 0.18±0.70(Predicted)
- Farbe
- White to Off-White
- Stabilität
- Moisture Sensitive
- InChI
- 1S/C4H5ClN2O2S/c1-7-2-4(6-3-7)10(5,8)9/h2-3H,1H3
- InChIKey
- KXUGUWTUFUWYRS-UHFFFAOYSA-N
- SMILES
- Cn1cnc(c1)S(Cl)(=O)=O
- CAS Datenbank
- 137049 · 137049-00-4(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (33.3%)
Sicherheitsdaten
- wgk
- WGK 3
- ridadr
- 3261
- hs_code
- 29332900
- risk_code
- 34-29-14-36-20/21/22
- hazard_code
- Xi,C
- hazard_note
- Irritant
- safety_code
- 26-36/37/39-8-45-30-22
- hazard_class
- 8
- Speicherklasse
- 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1B
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