3,4-Difluorobenzene-1,2-diamine

HCID 2736753CAS 153505-39-6

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: Nc1ccc(F)c(F)c1N
InChIKey: QILZDWMMWFCBPW-UHFFFAOYSA-N
Summenformel: C6H6F2N2
Durchschnittliche Molmasse: 144,12 g/mol
Monoisotopische Masse: 144,04990452

Namen und Bezeichner

Bevorzugter Name: 3,4-Difluorobenzene-1,2-diamine
IUPAC: 3,4-difluorobenzene-1,2-diamine
Englischer Name: 2,3-DIFLUORO-6-NITROANILINE
Summenformel: C6H6F2N2
Molmasse: 144.12

Namen und Synonyme

3,4-difluorobenzene-1,2-diamine153505-39-6DTXSID90371574RefChem:270924DTXCID50322608671-859-21,2-DIAMINO-3,4-DIFLUOROBENZENE5,6-Difluorobenzene-1,2-diamineMFCD001531281,2-Benzenediamine, 3,4-difluoro-3,4-DIFLUORO-1,2-PHENYLENEDIAMINESCHEMBL102594

Weitere Namen anzeigen

BUTTPARK 14\01-66BUTTPARK 15\01-971,2-Diamino-3,4-difluoro3-DIFLUORO-6-NITROANILINE2,3-Difluoro-6-nitroaniline98%3,4-Difluorophenylene-1,2-diamine

CHEMBL1650254QILZDWMMWFCBPW-UHFFFAOYSCHEMBL30636514QILZDWMMWFCBPW-UHFFFAOYSA-N1,2-diamino-3,4-difluoro-benzene3,4-difluoro-benzene-1,2-diamineSBB086331TD1216

Datenbank-Bezeichner

CAS: 153505-39-6
PubChem CID: 2736753
DTXSID: DTXSID90371574
ChEMBL: CHEMBL1650254
EC Number: 671-859-2

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,8
Polarare Oberfläche (TPSA): 52 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 120

Physikochemische Eigenschaften

Schmelzpunkt: 114.7 · 114.7-117.2°C
Siedepunkt: 258 ℃ · 258℃
Dichte: 1.407 · 1.407
Flammpunkt: 114 ℃ · 114℃
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 3.2 · 3.20±0.10(Predicted)
InChI: InChI=1S/C6H6F2N2/c7-3-1-2-4(9)6(10)5(3)8/h1-2H,9-10H2
InChIKey: QILZDWMMWFCBPW-UHFFFAOYSA-N
SMILES: C1(N)=CC=C(F)C(F)=C1N
CAS Datenbank: 153505 · 153505-39-6(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): 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, 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 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.