4-Chlorobenzene-1-carboximidamide hydrochloride

HCID 203436CAS 14401-51-5

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Grundinformationen

Standard-SMILES: Cl.N=C(N)c1ccc(Cl)cc1
InChIKey: RXAOGVQDNBYURA-UHFFFAOYSA-N
Summenformel: C7H8Cl2N2
Durchschnittliche Molmasse: 191,05 g/mol
Monoisotopische Masse: 190,00645362

Namen und Bezeichner

Bevorzugter Name: 4-Chlorobenzene-1-carboximidamide hydrochloride
IUPAC: 4-chlorobenzenecarboximidamide;hydrochloride
Englischer Name: 4-Chlorobenzene-1-carboximidamide hydrochloride
Summenformel: C7H8Cl2N2
Molmasse: 191.06

Namen und Synonyme

4-Chlorobenzene-1-carboximidamide hydrochlorideBenzenecarboximidamide, 4-chloro-, hydrochloride (1:1)RefChem:521935604-389-314401-51-54-Chlorobenzamidine hydrochloride4-chloro-benzamidine hydrochlorideMFCD00126401p-Chlorobenzamidine hydrochlorideBenzenecarboximidamide, 4-chloro-, monohydrochloride4-Chlorobenzenecarboximidamide monohydrochloride4-CHLOROBENZIMIDAMIDE HYDROCHLORIDE

Weitere Namen anzeigen

4-CHLOROBENZAMIDINE HCL4-Chlorobenzimidamide HClp-chloro-benzamidhydrochloride4-chlorbenamidine hydrochloride4-ChlorobenzamidineHydrochloride>p-chloro-benzamidinmonohydrochloride4-Chlorobenzene-1-carboximidamideHCl4-Chlorobenzamidine hydrochloride ,95%

4-chlorobenzenecarboximidamide;hydrochloride4-chlorobenzamidine;hydrochloride4-Chlorobenzamidine Monohydrochloride4-chlorobenzenecarboxamidine, chlorideSMR000354347EN300-107516AI3-23662Benzamide, p-chloro-, hydrochloride

Datenbank-Bezeichner

CAS: 14401-51-5
PubChem CID: 203436
DTXSID: DTXSID80162599
ChEMBL: CHEMBL1406830
EC Number: 604-389-3

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 49,9 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 128

Physikochemische Eigenschaften

Schmelzpunkt: 244 °C · 244 °C
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: powder to crystal
Farbe: White to Almost white
InChI: 1S/C7H7ClN2.ClH/c8-6-3-1-5(2-4-6)7(9)10;/h1-4H,(H3,9,10);1H
InChIKey: RXAOGVQDNBYURA-UHFFFAOYSA-N
SMILES: Cl.NC(=N)c1ccc(Cl)cc1
CAS Datenbank: 14401 · 14401-51-5(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (20%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (20%)

Sicherheitsdaten

wgk: WGK 3
hs_code: 29252900
RTECS-Nr.: CV6136200
risk_code: 36/37/38-43-36-25
Toxizität: mouse,LD50,intravenous,90mg/kg (90mg/kg),Journal of Pharmacology and Experimental Therapeutics. Vol. 84, Pg. 16, 1945.
hazard_code: Xi,T
hazard_note: Irritant
safety_code: 26-36-37/39-45-36/37
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Sens. 1