Methyl 4-bromo-3-nitrobenzoate

HCID 2736829CAS 2363-16-8

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Grundinformationen

Standard-SMILES: COC(=O)c1ccc(Br)c([N+](=O)[O-])c1
InChIKey: BNNDHGPPQZVKMX-UHFFFAOYSA-N
Summenformel: C8H6BrNO4
Durchschnittliche Molmasse: 260,04 g/mol
Monoisotopische Masse: 258,94802

Namen und Bezeichner

Bevorzugter Name: Methyl 4-bromo-3-nitrobenzoate
IUPAC: methyl 4-bromo-3-nitrobenzoate
Englischer Name: Methyl 4-bromo-3-nitrobenzoate
Summenformel: C8H6BrNO4
Molmasse: 260.04

Namen und Synonyme

methyl 4-bromo-3-nitrobenzoate2363-16-8DTXSID70371633RefChem:355625DTXCID90322667640-148-94-bromo-3-nitrobenzoic acid methyl ester4-Bromo-3-nitro-benzoic acid methyl esterBenzoic acid, 4-bromo-3-nitro-, methyl esterMFCD00553089SCHEMBL1479880AB3929

Weitere Namen anzeigen

RARECHEM AH CK 00433- nitro-4-bromobenzoatemethyl 3-nitro-4-bromobenzoate4-Bromo-3-nitro-benzoic acid metMethyl4-Bromo-3-nitrobenzoate>Methyl 4-bromo-3-nitrobenzoate ,98%

BBL023179STL289871AKOS008903033CS-W005350PS-6037M25962-Bromo-5-(methoxycarbonyl)nitrobenzenemethyl 4-bromo-3-nitro-benzoate

Datenbank-Bezeichner

CAS: 2363-16-8
PubChem CID: 2736829
DTXSID: DTXSID70371633
EC Number: 640-148-9
Nikkaji: J258.234A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,3
Polarare Oberfläche (TPSA): 72,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 2
Schwere Atome: 14
Formalladung: 0
Komplexität: 240

Physikochemische Eigenschaften

Schmelzpunkt: 102 · 102-103°C
Siedepunkt: 320.9 · 320.9±22.0 °C(Predicted)
Dichte: 1.673 · 1.673±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: soluble in Toluene
Aggregatzustand: powder to crystal
Farbe: White to Orange to Green
CAS Datenbank: 2363 · 2363-16-8(CAS DataBase Reference)

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 (75%): 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 4 reports by companies from 4 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.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (75%)

Sicherheitsdaten

hs_code: 2916399090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39
hazard_class: IRRITANT

Chemie und Industrie

Anwendungen

VerwendenMethyl 4-bromo-3-methylbenzoate, an aromatic ester, undergoes Suzuki coupling with 2-chloroboronic acid to afford the corresponding biaryl.