4-(Trifluoromethoxy)benzene-1,2-diamine

HCID 2773959

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Grundinformationen

CAS: 658-89-9
Standard-SMILES: Nc1ccc(OC(F)(F)F)cc1N
InChIKey: PIOKGAUSPFWRMD-UHFFFAOYSA-N
Summenformel: C7H7F3N2O
Durchschnittliche Molmasse: 192,14 g/mol
Monoisotopische Masse: 192,05104734

Namen und Bezeichner

Bevorzugter Name: 4-(Trifluoromethoxy)benzene-1,2-diamine
IUPAC: 4-(trifluoromethoxy)benzene-1,2-diamine
Englischer Name: 1,2-Diamino-4-(trifluoromethoxy)benzene
Summenformel: C7H7F3N2O
Molmasse: 192.14

Namen und Synonyme

4-(trifluoromethoxy)benzene-1,2-diamine658-89-9DTXSID20378798RefChem:289507DTXCID60329825640-142-61,2-DIAMINO-4-(TRIFLUOROMETHOXY)BENZENEMFCD030942781,2-Benzenediamine, 4-(trifluoromethoxy)-4-trifluoromethoxy-benzene-1,2-diamine4-(Trifluoromethoxy)-1,2-benzenediamineSCHEMBL442684

Weitere Namen anzeigen

4-Trifluoromethoxy-1,2-diaminobenzene4-(TRIFLUOROMETHOXY)-1,2-PHENYLENEDIAMINE4-(Trifluoromethoxy)benzene-1,2-diamine 97%1,2-Diamino-4-(trifluoromethoxy)benzene, 4-(Trifluoromethoxy)phenylene-1,2-diamine

1,?2-?Diamino-?4-?(trifluoromethoxy)?benzeneSCHEMBL29546263CK1174SBB0913821,2-Diamino-4-trifluoromethoxybenzene4-trifluoromethoxy-1,2-benzenediamineAKOS006228206CS-W006388

Datenbank-Bezeichner

CAS: 658-89-9
PubChem CID: 2773959
DTXSID: DTXSID20378798
EC Number: 640-142-6

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 61,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 6
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 174

Physikochemische Eigenschaften

Siedepunkt: 106 · 106-108 °C(Press: 5 Torr)
Dichte: 1.429 · 1.429±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
Löslichkeit: DMSO (Slightly), Methanol (Slightly)
pka: 3.3 · 3.30±0.10(Predicted)
Aggregatzustand: Solid
Farbe: Dark Brown to Black
Stabilität: Air Sensitive

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (66.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (66.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (66.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 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 (66.7%)；Acute Tox. 4 (66.7%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (66.7%)；Eye Irrit. 2 (33.3%)；Acute Tox. 4 (66.7%)；STOT SE 3 (100%)