4-(Trifluoromethyl)benzene-1-carboximidamide--hydrogen chloride--water (1/1/2)

HCID 44630771

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Grundinformationen

CAS: 175278-62-3
Standard-SMILES: Cl.N=C(N)c1ccc(C(F)(F)F)cc1.O.O
InChIKey: ZFGZRQQZWBYRRB-UHFFFAOYSA-N
Summenformel: C8H12ClF3N2O2
Durchschnittliche Molmasse: 260,64 g/mol
Monoisotopische Masse: 260,0539398

Namen und Bezeichner

Bevorzugter Name: 4-(Trifluoromethyl)benzene-1-carboximidamide--hydrogen chloride--water (1/1/2)
IUPAC: 4-(trifluoromethyl)benzenecarboximidamide;dihydrate;hydrochloride
Englischer Name: 4-(TRIFLUOROMETHYL)BENZAMIDINE HYDROCHLORIDE DIHYDRATE
Summenformel: C8H10ClF3N2O
Molmasse: 242.63

Namen und Synonyme

175278-62-3DTXSID506600174-(Trifluoromethyl)benzene-1-carboximidamide--hydrogen chloride--water (1/1/2)RefChem:289525DTXCID206107664-(Trifluoromethyl)benzamidine hydrochloride dihydrate4-(Trifluoromethyl)benzimidamide hydrochloride dihydrateMFCD00122370C8H12ClF3N2O24-(trifluoromethyl)benzenecarboximidamide;dihydrate;hydrochloride4-(trifluoromethyl)benzene-1-carboximidamide dihydrate hydrochloride4-(Trifluoromethyl)benzene-1-carboximidamide hydrochloride dihydrate

Weitere Namen anzeigen

BUTTPARK 43\57-564-(Trifluoromethyl)benzamidinehydrochloridedihydrate97%4-(Trifluoromethoxy)benzamidine Hydrochloride Dihydrate4-(Trifluoromethyl)benzamidine hydrochloride dihydrate 97%4-(trifluoromethyl)benzenecarboximidamide dihydrate hydrochloride4-(TrifluoroMethyl)benzene-1-carboxiMidaMide hydrochloride hydrate, 97%

4-(trifluoromethyl)benzamidine hydrochloride,dihydrateBenzenecarboximidamide, 4-(trifluoromethyl)-, hydrochloride, hydrate (1:1:2)[amino-[4-(trifluoromethyl)phenyl]methylidene]azanium;chloride;dihydrateSCHEMBL721142SBB102346AKOS015855388FS-4361CS-0206570

Datenbank-Bezeichner

CAS: 175278-62-3
PubChem CID: 44630771
DTXSID: DTXSID50660017
EC Number: 671-957-5

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 51,9 Å²
H-Brücken-Donoren: 5
H-Brücken-Akzeptoren: 6
Frei drehbare Bindungen: 1
Schwere Atome: 16
Formalladung: 0
Komplexität: 192

Physikochemische Eigenschaften

Schmelzpunkt: 158 °C · 158 °C
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: crystalline powder
Farbe: White
CAS Datenbank: 175278 · 175278-62-3(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (50%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P272, P280, 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 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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (50%)；Acute Tox. 4 (50%)；Skin Irrit. 2 (50%)；Skin Sens. 1 (50%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (50%)；STOT SE 3 (50%)