Carbonic acid, compound with phenylguanidine (1:1)
Grundinformationen
- CAS
14018-90-7- Standard-SMILES
NC(N)=Nc1ccccc1.O=C(O)O- InChIKey
XDSYAIICRRZSJX-UHFFFAOYSA-N- Summenformel
- C8H11N3O3
- Durchschnittliche Molmasse
- 197,19 g/mol
- Monoisotopische Masse
- 197,08004122
Namen und Bezeichner
- Bevorzugter Name
- Carbonic acid, compound with phenylguanidine (1:1)
- IUPAC
- carbonic acid;2-phenylguanidine
- Englischer Name
- Phenylguanidine carbonate salt
- Summenformel
- C7H9N3.(H2CO3)x
- Molmasse
- 135.17
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
14018-90-7、6291-89-0、6685-76-3- PubChem CID
- 16217093
- DTXSID
DTXSID70216974- EC Number
- 229-729-4、604-176-5
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 122 Ų
- H-Brücken-Donoren
- 4
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 147
Physikochemische Eigenschaften
- Schmelzpunkt
- 149 · 149-153 °C(lit.)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- Löslichkeit
- Aqueous Base (Slightly, Sonicated)
- Aggregatzustand
- Solid
- Farbe
- Off-White
- InChI
- 1S/C7H9N3.CH2O3/c8-7(9)10-6-4-2-1-3-5-6;2-1(3)4/h1-5H,(H4,8,9,10);(H2,2,3,4)
- InChIKey
- XDSYAIICRRZSJX-UHFFFAOYSA-N
- SMILES
- OC(O)=O.NC(=N)Nc1ccccc1
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 80% (8 of 10) of all reports.
Danger
H302 (10%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (10%): Causes skin irritation [Warning Skin corrosion/irritation];H317 (10%): May cause an allergic skin reaction [Warning Sensitization, Skin];H318 (10%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H319 (10%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (10%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H411 (10%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 10 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 8 of 10 reports by companies.;There are 2 notifications provided by 2 of 10 reports by companies with hazard statement code(s).;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
Regulatorische Informationen
Sicherheitsdaten
- wgk
- 3
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Anwendungen
VerwendenPhenylguanidine Carbonate Salt is a reagent used in the preparation of selective polo-like kinase 1 inhibitors. It also functions as a reagent in the synthesis of monosubstituted guanidines.
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