4-Bromo-2-iodoaniline

HCID 823934CAS 66416-72-6

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Grundinformationen

Standard-SMILES: Nc1ccc(Br)cc1I
InChIKey: HHTYEQWCHQEJNV-UHFFFAOYSA-N
Summenformel: C6H5BrIN
Durchschnittliche Molmasse: 297,92 g/mol
Monoisotopische Masse: 296,86500926

Namen und Bezeichner

Bevorzugter Name: 4-Bromo-2-iodoaniline
IUPAC: 4-bromo-2-iodoaniline
Englischer Name: 4-Bromo-2-iodoaniline
Summenformel: C6H5BrIN
Molmasse: 297.92

Namen und Synonyme

4-Bromo-2-iodoaniline66416-72-6DTXSID00356418RefChem:519726DTXCID70307477613-931-84-BROMO-2-IODOBENZENAMINEBenzenamine, 4-bromo-2-iodo-MFCD020937644-bromo-2-iodo-aniline2-iodo-4-bromoaniline4-bromo-2-iodophenylamine

Weitere Namen anzeigen

AKOS BB-7878ASISCHEM T543432-Iodine-4-bromoaniline4-Bromo-2-iodoaNAine, 97%4-Bromo-2-iodoaniline >4-Bromo-2-iodoaniline,97%4-Bromo-2-iodoaniline 97%4-bromo-2-iodo-benzenamine4-BROMO-2-IODO-PHENYLAMINE

(4-bromo-2-iodophenyl)amineSCHEMBL1934904-Bromo-2-iodoaniline, 97%BBL018997STK041013AKOS000108494AB10839CS-W002880

Datenbank-Bezeichner

CAS: 66416-72-6
PubChem CID: 823934
DTXSID: DTXSID00356418
EC Number: 613-931-8
Nikkaji: J1.281.656A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,6
Polarare Oberfläche (TPSA): 26 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 99,1

Physikochemische Eigenschaften

Schmelzpunkt: 69 · 69-72 °C(lit.)
Siedepunkt: 297.9 · 297.9±30.0 °C(Predicted)
Dichte: 2.292 · 2.292±0.06 g/cm3(Predicted)
storage temp.: 2 · Keep in dark place,Inert atmosphere,2-8°C
Löslichkeit: soluble in Methanol
pka: 1.83 · 1.83±0.10(Predicted)
Aggregatzustand: Powder
Farbe: Gray to purple
InChI: InChI=1S/C6H5BrIN/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2
InChIKey: HHTYEQWCHQEJNV-UHFFFAOYSA-N
SMILES: C1(N)=CC=C(Br)C=C1I
CAS Datenbank: 66416 · 66416-72-6(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, 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 44 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (100%)

Sicherheitsdaten

wgk: 3
ridadr: UN 2811 6.1/PG 3
hs_code: 29214200
risk_code: 25-37/38-41-51/53
hazard_code: T,N,Xi
hazard_note: Irritant
safety_code: 26-36/37/39-45-61
hazard_class: 6.1
packing_group: Ⅲ
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 OralAquatic Chronic 2Eye Dam. 1Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden4-Bromo-2-iodoaniline may be used in the following:Preparation of quinolone derivatives.Synthesis of a resin-bound sulfonamide, which was used as a starting material for the preparation of 2,3,5-trisubstituted indoles.