1-Bromo-2-chloro-3-nitrobenzene

HCID 22736053CAS 3970-37-4

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Grundinformationen

Standard-SMILES: O=[N+]([O-])c1cccc(Br)c1Cl
InChIKey: JNIDAGAFFKAPRV-UHFFFAOYSA-N
Summenformel: C6H3BrClNO2
Durchschnittliche Molmasse: 236,45 g/mol
Monoisotopische Masse: 234,90357

Namen und Bezeichner

Bevorzugter Name: 1-Bromo-2-chloro-3-nitrobenzene
IUPAC: 1-bromo-2-chloro-3-nitrobenzene
Englischer Name: 1-Bromo-2-chloro-3-nitrobenzene
Summenformel: C6H3BrClNO2
Molmasse: 236.45

Namen und Synonyme

1-BROMO-2-CHLORO-3-NITROBENZENE3970-37-4DTXSID50627948RefChem:75062DTXCID70578701814-473-33-Bromo-2-chloronitrobenzene1-bromo-2-chloro-3-nitro-benzeneMFCD08277301Benzene, 1-bromo-2-chloro-3-nitro-SCHEMBL1494470CL8949

Weitere Namen anzeigen

oro-3-nitrobenzene1-BROMO-2-CHLORO-3-NITROBENZENE ISO 9001：2015 REACH

AKOS015834905CS-W008709AM83152GS-40GS-4084SB37018SY035138EN300-102334

Datenbank-Bezeichner

CAS: 3970-37-4
PubChem CID: 22736053
DTXSID: DTXSID50627948
EC Number: 814-473-3

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,1
Polarare Oberfläche (TPSA): 45,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 161

Physikochemische Eigenschaften

Schmelzpunkt: 57 · 57-60°C
Siedepunkt: 290.4 · 290.4±20.0 °C(Predicted)
Dichte: 1.827 · 1.827±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
Farbe: Pale Yellow
InChI: InChI=1S/C6H3BrClNO2/c7-4-2-1-3-5(6(4)8)9(10)11/h1-3H
InChIKey: JNIDAGAFFKAPRV-UHFFFAOYSA-N
SMILES: C1(Br)=CC=CC([N+]([O-])=O)=C1Cl

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；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, P270, P271, P280, 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 2 reports by companies from 2 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.