2,2'-Diamino-4,4'-dibromobiphenyl

HCID 11221538CAS 136630-36-9

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Grundinformationen

Standard-SMILES: Nc1cc(Br)ccc1-c1ccc(Br)cc1N
InChIKey: KZDMFBDNQPKWNM-UHFFFAOYSA-N
Summenformel: C12H10Br2N2
Durchschnittliche Molmasse: 342,03 g/mol
Monoisotopische Masse: 339,92107252

Namen und Bezeichner

Bevorzugter Name: 2,2'-Diamino-4,4'-dibromobiphenyl
IUPAC: 2-(2-amino-4-bromophenyl)-5-bromoaniline
Englischer Name: 4,4'-dibroMobiphenyl-2,2'-diaMine
Summenformel: C12H10Br2N2
Molmasse: 342.03

Namen und Synonyme

136630-36-92,2'-diamino-4,4'-dibromobiphenylDTXSID80459259RefChem:242235DTXCID904100784,4'-Dibromo-[1,1'-biphenyl]-2,2'-diamine4,4'-dibromobiphenyl-2,2'-diamine2-(2-amino-4-bromophenyl)-5-bromoanilineMFCD145829814,4'-Dibromo-biphenyl-2,2'-diamineCS-W0094114,4/'-dibroMobiphenyl-2,2/'-diaMine

Weitere Namen anzeigen

DBDABP4,4'-Dibromo-[1,1'-bipheny4.4'-Dibrom-2.2'-diamino-diphenyl2,2'-DiaMino-4,4'-dibroModiphenyl4,4′-Dibromo-2,2′-biphenyldiamine2,2′-Diamino-4,4′-dibromobiphenyl4,4'-Dibromo-2,2'-biphenyldiamine

4,4'-Dibromo-1,1'-biphenyl-2,2'-diamine2-(2-amino-4-bromo-phenyl)-5-bromo-anilineDibromobiphenyl-2,2'-diamineSCHEMBL2841295KZDMFBDNQPKWNM-UHFFFAOYSA-N4,4'-dibromo-2,2'-diaminobiphenylAB9021AKOS022174835

Datenbank-Bezeichner

CAS: 136630-36-9
PubChem CID: 11221538
DTXSID: DTXSID80459259
EC Number: 694-401-3
Nikkaji: J438.022C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,6
Polarare Oberfläche (TPSA): 52 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 16
Formalladung: 0
Komplexität: 213

Physikochemische Eigenschaften

Schmelzpunkt: 192 · 192-194℃
Siedepunkt: 436.5 · 436.5±40.0 °C(Predicted)
Dichte: 1.784 · 1.784±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Aggregatzustand: solid
pka: 2.79 · 2.79±0.10(Predicted)
InChI: 1S/C12H10Br2N2/c13-7-1-3-9(11(15)5-7)10-4-2-8(14)6-12(10)16/h1-6H,15-16H2
InChIKey: KZDMFBDNQPKWNM-UHFFFAOYSA-N
SMILES: Nc1cc(Br)ccc1-c2ccc(Br)cc2N

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

wgk: 3
ridadr: UN 3077 9 / PGIII
risk_code: 22-37/38-41-50/53
hazard_code: Xn,N
safety_code: 26-39-60-61
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralAquatic Acute 1Eye Dam. 1Skin Irrit. 2STOT SE 3