Methyl 4-bromo-2-nitrophenylacetate

HCID 15740598

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Grundinformationen

CAS: 100487-82-9
Standard-SMILES: COC(=O)Cc1ccc(Br)cc1[N+](=O)[O-]
InChIKey: KHXUTOLCCFWPDH-UHFFFAOYSA-N
Summenformel: C9H8BrNO4
Durchschnittliche Molmasse: 274,07 g/mol
Monoisotopische Masse: 272,96367

Namen und Bezeichner

Bevorzugter Name: Methyl 4-bromo-2-nitrophenylacetate
IUPAC: methyl 2-(4-bromo-2-nitrophenyl)acetate
Englischer Name: Methyl 2-(4-bromo-2-nitrophenyl)acetate
Summenformel: C9H8BrNO4
Molmasse: 274.07

Namen und Synonyme

Methyl 4-bromo-2-nitrophenylacetateRefChem:816253800-912-6methyl 2-(4-bromo-2-nitrophenyl)acetate100487-82-9Benzeneacetic acid, 4-bromo-2-nitro-, methyl esterMFCD09027267METHYL2-(4-BROMO-2-NITROPHENYL)ACETATEmethyl (4-bromo-2-nitrophenyl)acetateMethyl 4-Bromo-2-nitrophenylacetaemethyl 2-(4-bromo-2-nitrophenyl) acetatemethyl 2-(4-bromo-2-nitroph

Weitere Namen anzeigen

Methyl4-bromo-2-nitrophenylacetate98%4-Bromo-2-nitrobenzeneacetic acid methyl ester(4-BroMo-2-nitro-phenyl)-acetic acid Methyl ester4-Bromo-2-nitrophenylacetic acid methyl ester, 5-Bromo-2-(2-methoxy-2-oxoethyl)nitrobenzene

SCHEMBL1613045SCHEMBL30314841DTXSID40577761KHXUTOLCCFWPDH-UHFFFAOYSA-NAKOS015835562AS-68362SY103834methyl 2-(4-bromo-2-nitro-phenyl)acetate

Datenbank-Bezeichner

CAS: 100487-82-9
PubChem CID: 15740598
DTXSID: DTXSID40577761
EC Number: 800-912-6

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,2
Polarare Oberfläche (TPSA): 72,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 3
Schwere Atome: 15
Formalladung: 0
Komplexität: 253

Physikochemische Eigenschaften

Siedepunkt: 331.7 · 331.7±27.0 °C(Predicted)
Dichte: 1.609 · 1.609±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 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.