Carbonic acid, compound with phenylguanidine (1:1)

HCID 16217093

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

6685-76-3Carbonic acid, compound with phenylguanidine (1:1)EINECS 229-729-4DTXSID70216974RefChem:123598DTXCID00139465229-729-41-Phenylguanidine carbonate14018-90-7Phenylguanidine carbonate salt1-Phenylguanidine xcarbonateMFCD03427114
Weitere Namen anzeigen
GUANIDINE,PHENYL CARBONATE9-Phenylguanidine carbonatePhenylguanidineCarbonateSalPhenylguanidine carbote salt1-PHENYLGUANIDINE, Carbonate saltPhenylguanidine carbonate salt, 98%+
Phenylguanidinecarbonatecarbonic acid;2-phenylguanidineN-phenylguanidine; carbonic acidPhenylguanidinehydrogencarbonatephenylguanidine hydrogen carbonateCS-W015676SY059286Phenyl guanidine carbonate

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

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)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

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

Regulatory InformationStatus: Active Update: 14-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25525
Hazard Classes and CategoriesAcute Tox. 4 (10%);Skin Irrit. 2 (10%);Skin Sens. 1 (10%);Eye Dam. 1 (10%);Eye Irrit. 2A (10%);STOT SE 3 (10%);Aquatic Chronic 2 (10%)

Regulatorische Informationen

Regulatory InformationStatus: Active Update: 14-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25525

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.

Anbieter17 Anbieter

湖北万得化工有限公司15377098680 15377098680 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
湖北成海化工有限公司027-59220433 18327245847 · [email protected]
陕西缔都医药化工有限公司+86-29-87569262 +86-15003564040 · [email protected]

Zugehörige Reaktionen

19

Notizen zur Verbindung

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