Grundinformationen
- Standard-SMILES
Cn1nccc1N- InChIKey
JESRNIJXVIFVOV-UHFFFAOYSA-N- Summenformel
- C4H7N3
- Durchschnittliche Molmasse
- 97,12 g/mol
- Monoisotopische Masse
- 97,06399724
Namen und Bezeichner
- Bevorzugter Name
- 2-Methyl-2H-pyrazol-3-ylamine
- IUPAC
- 2-methylpyrazol-3-amine
- Englischer Name
- 1-Methyl-1H-pyrazol-5-ylamine
- Summenformel
- C4H7N3
- Molmasse
- 97.12
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
1192-21-8- PubChem CID
- 136927
- DTXSID
DTXSID80152334- EC Number
- 688-112-1
- Nikkaji
- J271.172I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,1
- Polarare Oberfläche (TPSA)
- 43,8 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 64
Physikochemische Eigenschaften
- Schmelzpunkt
- 73 °C · 73 °C
- Siedepunkt
- 95 · 95-96°C (0.5 mmHg)
- Dichte
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- Löslichkeit
- Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
- Aggregatzustand
- Solid
- pka
- 4.16 · 4.16±0.10(Predicted)
- Farbe
- Dark Red to Orange to Brown
- InChI
- InChI=1S/C4H7N3/c1-7-4(5)2-3-6-7/h2-3H,5H2,1H3
- InChIKey
- JESRNIJXVIFVOV-UHFFFAOYSA-N
- SMILES
- N1(C)C(N)=CC=N1
- CAS Datenbank
- 1192 · 1192-21-8(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H301 (84.4%): Toxic if swallowed [Danger Acute toxicity, oral];H312+H332 (84.4%): Harmful in contact with skin or if inhaled [Warning Acute toxicity, dermal; acute toxicity, inhalation];H312 (93.3%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (93.3%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (95.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P317, 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 45 reports by companies from 5 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
Sicherheitsdaten
- ridadr
- 2811
- hs_code
- 29331990
- risk_code
- 20/21/22-36/37/38-22
- hazard_code
- Xn,Xi
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT
Chemie und Industrie
Anwendungen
VerwendenAn interesting synthetic intermediate
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