1-(Bromomethyl)-3-fluoro-5-nitrobenzene

HCID 64770545

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Grundinformationen

CAS: 883987-75-5
Standard-SMILES: O=[N+]([O-])c1cc(F)cc(CBr)c1
InChIKey: PKGNYGZIPJHZPG-UHFFFAOYSA-N
Summenformel: C7H5BrFNO2
Durchschnittliche Molmasse: 234,02 g/mol
Monoisotopische Masse: 232,94877

Namen und Bezeichner

Bevorzugter Name: 1-(Bromomethyl)-3-fluoro-5-nitrobenzene
IUPAC: 1-(bromomethyl)-3-fluoro-5-nitrobenzene
Englischer Name: 3-Fluoro-5-nitrobenzyl bromide
Summenformel: C7H5BrFNO2
Molmasse: 234.02

Namen und Synonyme

883987-75-51-(bromomethyl)-3-fluoro-5-nitrobenzeneRefChem:427288969-852-73-fluoro-5-nitrobenzyl bromideMFCD131856233-fluoro-5-nitrobenzylbromideBenzene, 1-(bromomethyl)-3-fluoro-5-nitro-SCHEMBL1098949PKGNYGZIPJHZPG-UHFFFAOYSA-NIKB98775AKOS014098893

Weitere Namen anzeigen

AT11185PS-98581-(bromomethyl)-3-fluoro-5-nitro-benzeneDB-294280F836487

Datenbank-Bezeichner

CAS: 883987-75-5
PubChem CID: 64770545
EC Number: 969-852-7

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,4
Polarare Oberfläche (TPSA): 45,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 12
Formalladung: 0
Komplexität: 173

Physikochemische Eigenschaften

Aggregatzustand: crystalline solid
Farbe: Pale khaki lemon to faint tan, mushy

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 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.