1,5-Dichlor-2,4-dinitrobenzol

1,3-Dichloro-4,6-dinitrobenzene

HCID 77286CAS 3698-83-7

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Grundinformationen

Standard-SMILES: O=[N+]([O-])c1cc([N+](=O)[O-])c(Cl)cc1Cl
InChIKey: ZPXDNSYFDIHPOJ-UHFFFAOYSA-N
Summenformel: C6H2Cl2N2O4
Durchschnittliche Molmasse: 236,99 g/mol
Monoisotopische Masse: 235,9391619

Namen und Bezeichner

Bevorzugter Name: 1,3-Dichloro-4,6-dinitrobenzene
IUPAC: 1,5-dichloro-2,4-dinitrobenzene
Lokaler Name: 1,5-Dichlor-2,4-dinitrobenzol
Englischer Name: 1,3-Dichloro-4,6-dinitrobenzene
Summenformel: C6H2Cl2N2O4
Molmasse: 237

Namen und Synonyme

1,5-Dichloro-2,4-dinitrobenzene1,3-Dichloro-4,6-dinitrobenzene3698-83-7Benzene, 1,5-dichloro-2,4-dinitro-2,4-Dichloro-1,5-dinitrobenzene4,6-Dichloro-1,3-dinitrobenzeneUNII-6ENC7C8ZR0EINECS 223-027-16ENC7C8ZR0NSC 28971AI3-28912NSC-28971

Weitere Namen anzeigen

LABOTEST-BB LT00848199Chlorzoxazone Impurity 331,5-dinitro-2,4-dichlorobenzene1,5-dichloro-2,4-dinitro-benzen1,5-Dichloro-2,4-dinitrobenzene>Benzene, 1,5-dichloro-2,4-dinitro-

DTXSID6022210Benzene, 1,3-dichloro-4,6-dinitro-2,6-DICHLORO-3,5-DINITROBENZENE4,6-DINITRO-1,3-DICHLOROBENZENERefChem:72622DTXCID902210ZPXDNSYFDIHPOJ-UHFFFAOYSA-N1,3,-Dichloro-4,6-dinitrobenzene

Datenbank-Bezeichner

CAS: 3698-83-7
PubChem CID: 77286
DTXSID: DTXSID6022210
UNII: 6ENC7C8ZR0
EC Number: 223-027-1
Nikkaji: J205.612G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,7
Polarare Oberfläche (TPSA): 91,6 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 0
Schwere Atome: 14
Formalladung: 0
Komplexität: 227

Physikochemische Eigenschaften

Schmelzpunkt: 101 · 101-104 °C(lit.)
Siedepunkt: 337.6 · 337.6±37.0 °C(Predicted)
Dichte: 1.729 · 1.729±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: soluble in Toluene
Aggregatzustand: powder to crystal
Farbe: Light orange to Yellow to Green
Wasserlöslichkeit: Insoluble in water.
BRN: 1685438 · 1685438
InChI: 1S/C6H2Cl2N2O4/c7-3-1-4(8)6(10(13)14)2-5(3)9(11)12/h1-2H
InChIKey: ZPXDNSYFDIHPOJ-UHFFFAOYSA-N
SMILES: [O-][N+](=O)c1cc(c(Cl)cc1Cl)[N+]([O-])=O
CAS Datenbank: 3698 · 3698-83-7(CAS DataBase Reference)
NIST chemische Informationen: 1 · 1,3-Dichloro-4,6-dinitrobenzene(3698-83-7)
EPA chemische Informationen: 1 · Benzene, 1,5-dichloro-2,4-dinitro- (3698-83-7)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (13%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (10.9%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (13%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (13%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (13%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (13%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H400 (97.8%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (13%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 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 CategoriesAcute Tox. 4 (13%)；Acute Tox. 4 (10.9%)；Skin Irrit. 2 (13%)；Eye Irrit. 2A (13%)；Acute Tox. 4 (13%)；STOT SE 3 (13%)；Aquatic Acute 1 (97.8%)；Aquatic Chronic 1 (13%)