1,4-Dimethyl-1H-imidazole-5-carboxylic acid
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Grundinformationen
- CAS
78449-67-9- Standard-SMILES
Cc1ncn(C)c1C(=O)O- InChIKey
OPSKQGQJCODPET-UHFFFAOYSA-N- Summenformel
- C6H8N2O2
- Durchschnittliche Molmasse
- 140,14 g/mol
- Monoisotopische Masse
- 140,0585775
Namen und Bezeichner
- Bevorzugter Name
- 1,4-Dimethyl-1H-imidazole-5-carboxylic acid
- IUPAC
- 3,5-dimethylimidazole-4-carboxylic acid
- Englischer Name
- 3,5-Dimethyl-3H-imidazole-4-carboxylic acid
- Summenformel
- C6H8N2O2
- Molmasse
- 140.14
Namen und Synonyme
1,4-Dimethyl-1H-imidazole-5-carboxylic acid78449-67-9DTXSID60506851RefChem:220648DTXCID90457660804-359-13,5-DIMETHYLIMIDAZOLE-4-CARBOXYLIC ACIDMFCD080631631,4-Dimethylimidazole-5-carboxylic Acid3,5-dimethyl-3H-imidazole-4-carboxylic acid1H-Imidazole-5-carboxylic acid, 1,4-dimethyl-SCHEMBL3054669
Weitere Namen anzeigen
3,5-Dimethyl-3H-imidazole-4-carboxylic acid ,98%1,4-Dimethyl-1H-imidazole-5-carboxylic acid 95% (elemental analysis)
OPSKQGQJCODPET-UHFFFAOYSA-NDDA44967AKOS006286936SB22835AS-50544SY026697DB-3566691,4-Dimethyl-1H-imidazole-5-carboxylicacid
Datenbank-Bezeichner
- CAS
78449-67-9- PubChem CID
- 12685485
- DTXSID
DTXSID60506851- EC Number
- 804-359-1
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 0,3
- Polarare Oberfläche (TPSA)
- 55,1 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 149
Physikochemische Eigenschaften
- Schmelzpunkt
- 210 · 210-215°C
- Siedepunkt
- 386 · 386.0±22.0 °C(Predicted)
- Dichte
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Aggregatzustand
- solid
- pka
- 1.59 · 1.59±0.32(Predicted)
- InChI
- 1S/C6H8N2O2/c1-4-5(6(9)10)8(2)3-7-4/h3H,1-2H3,(H,9,10)
- InChIKey
- OPSKQGQJCODPET-UHFFFAOYSA-N
- SMILES
- CN1C(C(O)=O)=C(C)N=C1
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 2933299090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anbieter25 Anbieter
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Aladdin Scientific[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]
Shangchem Co., Ltd.+86-21-68182121
上海特伯化学科技有限公司+86-21-60341587 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
嘉兴诺华化工有限公司18957373295
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
上海旭仁化学科技有限公司021-31007982 18019432809 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
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