4-Bromo-2,5-difluoroaniline

HCID 2773285CAS 112279-60-4

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Grundinformationen

Standard-SMILES: Nc1cc(F)c(Br)cc1F
InChIKey: XOYHFIQPPOJMFK-UHFFFAOYSA-N
Summenformel: C6H4BrF2N
Durchschnittliche Molmasse: 208 g/mol
Monoisotopische Masse: 206,94951767

Namen und Bezeichner

Bevorzugter Name: 4-Bromo-2,5-difluoroaniline
IUPAC: 4-bromo-2,5-difluoroaniline
Englischer Name: 4-Bromo-2,5-difluoroaniline
Summenformel: C6H4BrF2N
Molmasse: 208

Namen und Synonyme

4-Bromo-2,5-difluoroaniline112279-60-4DTXSID00378337RefChem:290578DTXCID00329364625-718-74-bromo-2,5-difluoro-phenylamineMFCD018611254-bromo-2,5-difluoro-anilineSCHEMBL2759634-bromo-2,5-difluorophenylamine4-Bromo-2,5-difluoroaniline, 97%

Weitere Namen anzeigen

4-broMo-2,5-difluorobenzenaMine2,5-Difluoro-4-bromoaniline4-Bromo-2,5-difluoroaniline98%4-Bromo-2,5-difluoroaniline >4-Bromo-2,5-difluoroaniline 98%Benzenamine, 4-bromo-2,5-difluoro-4-BROMO-2,5-DIFLUOROANILINE ISO 9001：2015 REACH4-bromo-2,5-difluorophenylamine,4-BroMo-2,5-difluoroaniline,4-Amino-2,5-difluorobromobenzene,4-Bromo-2,5-difluorobenzenamine

AKOS005254447AC-9661SB78176EN300-111940AM61733A19784A802600SCHEMBL29365100

Datenbank-Bezeichner

CAS: 112279-60-4
PubChem CID: 2773285
DTXSID: DTXSID00378337
EC Number: 625-718-7
Nikkaji: J2.638.935F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,1
Polarare Oberfläche (TPSA): 26 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 122

Physikochemische Eigenschaften

Schmelzpunkt: 74 · 74-78 °C (lit.)
Siedepunkt: 212.1 · 212.1±35.0 °C(Predicted)
Dichte: 1.788 · 1.788±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: powder to crystal
pka: 1.48 · 1.48±0.10(Predicted)
Farbe: White to Light yellow
BRN: 4741102 · 4741102
InChI: InChI=1S/C6H4BrF2N/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,10H2
InChIKey: XOYHFIQPPOJMFK-UHFFFAOYSA-N
SMILES: C1(N)=CC(F)=C(Br)C=C1F
CAS Datenbank: 112279 · 112279-60-4(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (85.1%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 47 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 (85.1%)

Sicherheitsdaten

wgk: 3
ridadr: UN 2811 6.1/PG 3
hs_code: 29214200
risk_code: 25-36/37/38
hazard_code: T,Xi
safety_code: 28-45
hazard_class: IRRITANT
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3