1-Methyl-5-phenyl-1H-pyrazole-4-carboxylic acid
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Grundinformationen
- CAS
105994-75-0- Standard-SMILES
Cn1ncc(C(=O)O)c1-c1ccccc1- InChIKey
MXGOKNNGBUOAGF-UHFFFAOYSA-N- Summenformel
- C11H10N2O2
- Durchschnittliche Molmasse
- 202,21 g/mol
- Monoisotopische Masse
- 202,07422757
Namen und Bezeichner
- Bevorzugter Name
- 1-Methyl-5-phenyl-1H-pyrazole-4-carboxylic acid
- IUPAC
- 1-methyl-5-phenylpyrazole-4-carboxylic acid
- Englischer Name
- 1-Methyl-5-phenyl-1H-pyrazole-4-carboxylic acid
- Summenformel
- C11H10N2O2
- Molmasse
- 202.21
Namen und Synonyme
1-Methyl-5-phenyl-1H-pyrazole-4-carboxylic acid105994-75-0DTXSID30383696RefChem:231953DTXCID90334720831-562-21-methyl-5-phenylpyrazole-4-carboxylic acidMFCD040389571H-Pyrazole-4-carboxylicacid, 1-methyl-5-phenyl-1H-Pyrazole-4-carboxylic acid, 1-methyl-5-phenyl-1FFSDCCGMLS-0066070.P001
Weitere Namen anzeigen
4-Carboxy-1-methyl-5-phenyl-1H-pyrazole1-Phenyl-5-Methyl Pyrazole-4-Carboxylic Acid1-Methyl-5-phenyl-1H-pyrazol-4-carboxylic acid1-Methyl-5-phenyl-1H-pyrazole-4-carboxylicacid97%1-Methyl-5-phenyl-1H-pyrazole-4-carboxylic acid 97%
SCHEMBL826906CHEMBL2326886BUTTPARK 98\18-87MXGOKNNGBUOAGF-UHFFFAOYSA-NFEA99475SBB092924AKOS009159066PS-3429
Datenbank-Bezeichner
- CAS
105994-75-0- PubChem CID
- 2795474
- DTXSID
DTXSID30383696
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 1,4
- Polarare Oberfläche (TPSA)
- 55,1 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 239
Physikochemische Eigenschaften
- Schmelzpunkt
- 215 · 215-216
- Siedepunkt
- 367.003 · 367.003±22.00 °C(Press: 760.00 Torr)(predicted)
- Dichte
- 1.249 · 1.249±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 4.18 · 4.180±0.10(predicted)
- Aggregatzustand
- crystalline solid
- Farbe
- White
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 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 CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Sicherheitsdaten
- hs_code
- 2933199090
- risk_code
- 22-36
- hazard_code
- Xi,Xn
- hazard_note
- Irritant
- safety_code
- 26
Chemie und Industrie
Anbieter25 Anbieter
陕西凯尔凯医药科技有限公司029-2148545164 17392779578 · [email protected]
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HBCChem, Inc.+1-510-219-6317 · [email protected]
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