5-methyl-2-phenyl-2H-1,2,3-triazole-4-carboxylic acid
Grundinformationen
- CAS
22300-56-7- Standard-SMILES
Cc1nn(-c2ccccc2)nc1C(=O)O- InChIKey
GQYQHAGPALBYDO-UHFFFAOYSA-N- Summenformel
- C10H9N3O2
- Durchschnittliche Molmasse
- 203,2 g/mol
- Monoisotopische Masse
- 203,06947654
Namen und Bezeichner
- Bevorzugter Name
- 5-methyl-2-phenyl-2H-1,2,3-triazole-4-carboxylic acid
- IUPAC
- 5-methyl-2-phenyltriazole-4-carboxylic acid
- Englischer Name
- 4-METHYL-2-PHENYL-1,2,3-TRIAZOLE-5-CARBOXYLIC ACID
- Summenformel
- C10H9N3O2
- Molmasse
- 203.2
Namen und Synonyme
22300-56-75-Methyl-2-phenyl-2H-1,2,3-triazole-4-carboxylic acidDTXSID60334196RefChem:537037DTXCID70285286673-133-04-Methyl-2-phenyl-1,2,3-triazole-5-carboxylic acid5-methyl-2-phenyltriazole-4-carboxylic acidMFCD000516535-methyl-2-phenyl-1,2,3-triazole-4-carboxylic acid4-Methyl-2-phenyl-2H-1,2,3-triazole-5-carboxylic acidCDS1_000169
Weitere Namen anzeigen
BUTTPARK 37\06-88TIMTEC-BB SBB0054315-methyl-2-phenyl-4-triazolecarboxylate
2H-1,2,3-Triazole-4-carboxylic acid, 5-methyl-2-phenyl-Maybridge1_002457DivK1c_001209SCHEMBL316035orb3022601HMS548H15TPL0467STR04795
Datenbank-Bezeichner
- CAS
22300-56-7- PubChem CID
- 519936
- DTXSID
DTXSID60334196- EC Number
- 673-133-0
- Nikkaji
- J816.354E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,2
- Polarare Oberfläche (TPSA)
- 68 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 241
Physikochemische Eigenschaften
- Schmelzpunkt
- 200 · 200-202°C
- Siedepunkt
- 432.9 · 432.9±37.0 °C(Predicted)
- Dichte
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- pka
- 3.34 · 3.34±0.50(Predicted)
- BRN
- 177649 · 177649
- CAS Datenbank
- 22300 · 22300-56-7(CAS DataBase Reference)
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 7 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
- hs_code
- 2933998090
- risk_code
- 36/37/38
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37/39
Chemie und Industrie
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