4-(Trifluoromethyl)benzamidine Hydrochloride

HCID 12535791

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Grundinformationen

CAS: 38980-96-0
Standard-SMILES: Cl.N=C(N)c1ccc(C(F)(F)F)cc1
InChIKey: DKIFMADLURULQV-UHFFFAOYSA-N
Summenformel: C8H8ClF3N2
Durchschnittliche Molmasse: 224,61 g/mol
Monoisotopische Masse: 224,0328104

Namen und Bezeichner

Bevorzugter Name: 4-(Trifluoromethyl)benzamidine Hydrochloride
IUPAC: 4-(trifluoromethyl)benzenecarboximidamide;hydrochloride
Englischer Name: 4-Trifluoromethyl-benzamidine HCl
Summenformel: C8H8ClF3N2
Molmasse: 224.61

Namen und Synonyme

4-(Trifluoromethyl)benzamidine hydrochlorideRefChem:517126811-845-738980-96-04-(TRIFLUOROMETHYL)BENZIMIDAMIDE HYDROCHLORIDE4-Trifluoromethyl-benzamidine HClMFCD041144314-Trifluoromethyl-benzamidine hydrochloride4-(Trifluoromethyl)Benzene-1-Carboximidamide Hydrochloride4-(Trifluoromethyl)benzenecarboximidamide hydrochloride4-(trifluoromethyl)benzenecarboximidamide;hydrochloride4-(Trifluoromethyl)benzamidine HCl

Weitere Namen anzeigen

4-TrifluoroMethyl-benzanidibe HCL4-Trifluoromethylbenzamidinehydrochloridel4-TRIFLUOROMETHYL-BENZAMIDINE HCL ISO 9001：2015 REACH

4-(trifluoromethyl)benzenecarboxamidine, chlorideBENZENECARBOXIMIDAMIDE, 4-(TRIFLUOROMETHYL)-, MONOHYDROCHLORIDESCHEMBL1549707DTXSID905016574-Trifluoromethyl-benzamidine.HCl4-(Trifluoromethyl)benzenecarboximidamide hydrochloride (1:1)SBB055299AKOS005256779

Datenbank-Bezeichner

CAS: 38980-96-0
PubChem CID: 12535791
DTXSID: DTXSID90501657
EC Number: 811-845-7

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 49,9 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 14
Formalladung: 0
Komplexität: 192

Physikochemische Eigenschaften

Schmelzpunkt: 158 · 158-161℃
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: powder to crystal
Farbe: White to Almost white
InChI: 1S/C8H7F3N2/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h1-4H,(H3,12,13)
InChIKey: XFLGYXVBXUAGQV-UHFFFAOYSA-N
SMILES: NC(C1=CC=C(C=C1)C(F)(F)F)=N

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.