1,3-Dichlor-2-nitrobenzol

1,3-Dichloro-2-nitrobenzene

HCID 11759CAS 601-88-7

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Grundinformationen

Standard-SMILES: O=[N+]([O-])c1c(Cl)cccc1Cl
InChIKey: VITSNECNFNNVQB-UHFFFAOYSA-N
Summenformel: C6H3Cl2NO2
Durchschnittliche Molmasse: 192 g/mol
Monoisotopische Masse: 190,9540837

Namen und Bezeichner

Bevorzugter Name: 1,3-Dichloro-2-nitrobenzene
IUPAC: 1,3-dichloro-2-nitrobenzene
Lokaler Name: 1,3-Dichlor-2-nitrobenzol
Englischer Name: 2,6-Dichloronitrobenzene
Summenformel: C6H3Cl2NO2
Molmasse: 192

Namen und Synonyme

1,3-Dichloro-2-nitrobenzene601-88-72,6-Dichloronitrobenzene1,3-Dichloro-2-nitro-benzeneBenzene, 1,3-dichloro-2-nitro-EINECS 210-009-3J43L7QJM9M2,6-DICHLORO-1-NITROBENZENEDTXSID00208847RefChem:72620DTXCID50131338210-009-3

Weitere Namen anzeigen

2,6-Dichloronitrobenezene1-Nitro-2,6-dichlorobenzene1,3-DICHLORO-3-NITROBENZENE1,3-Dichloro-2-nitrobenzene>TIANFUCHEM--High purity 2,6-Dichloronitrobenzene factory price

Benzene, 1,3-dichloronitro-MFCD004567952,6-dichloro-nitrobenzeneUNII-J43L7QJM9MSCHEMBL670917AKOS006221384CS-W007920DS-17028

Datenbank-Bezeichner

CAS: 601-88-7
PubChem CID: 11759
DTXSID: DTXSID00208847
UNII: J43L7QJM9M
EC Number: 210-009-3
Nikkaji: J134.682B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3
Polarare Oberfläche (TPSA): 45,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 149

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesCrystal structure

LogP3.1 (calculated)

DensityRelative density (water = 1): 1.6

Boiling Pointat 1.1kPa: 130 °C

Melting Point72.5 °C

Vapor DensityRelative vapor density (air = 1): 6.6

Physikochemische Eigenschaften

Schmelzpunkt: 71 °C · 71 °C
Siedepunkt: 130 °C · 130 °C / 8mmHg
Dichte: 1.603 · 1.6030
Brechungsindex: 1.5929 · 1.5929 (estimate)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
Farbe: Pale Yellow to Pale Green
CAS Datenbank: 601 · 601-88-7(CAS DataBase Reference)
NIST chemische Informationen: 1 · 1,3-dichloro-2-nitrobenzene(601-88-7)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (95.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P261, P262, P264, P270, P272, P273, P280, P301+P317, P302+P352, P316, P318, P321, P330, P333+P317, P361+P364, P362+P364, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: Benzene, 1,3-dichloro-2-nitro-

Status: Active Update: 08-07-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/18028

Fire HazardsCombustible.

Chemical DangersDecomposes on heating. This produces toxic and corrosive fumes including nitrogen oxides and hydrogen chloride. Reacts with strong bases and strong oxidants.

Hazard Classes and CategoriesAcute Tox. 4 (95.3%)

Sicherheit und Schutzausrüstung

Fire FightingUse powder, alcohol-resistant foam, water spray, carbon dioxide.

First Aid Measures · 4 Einträge

Fresh air, rest.

Rinse and then wash skin with water and soap.

Rinse with plenty of water (remove contact lenses if easily possible).

Rinse mouth.

Safe StorageSeparated from bases and strong oxidants.

Spillage Disposal · 1 Eintrag

Personal protection: particulate filter respirator adapted to the airborne concentration of the substance. Do NOT let this chemical enter the environment. Sweep spilled substance into covered containers. If appropriate, moisten first to prevent dusting.

Eye PreventionWear safety spectacles.

Fire PreventionNO open flames.

Toxikologische Informationen

Signs and Symptoms · 2 Einträge

Cough.

Redness.

ICSC Environmental DataEnvironmental effects from the substance have not been investigated adequately.

Sicherheitsdaten

ridadr: 1578
hs_code: 2904990090
hazard_code: T

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden1,3-Dichloro-2-nitrobenzene is an olfactory mucosa (OM) toxicants.Also, it is a starting material for 9-Chloro Quetiapine (C366040), which is an impurity of Quetiapine hemifumarate (Q510000), a dibenzothiazepine antipsychotic medication used in the treatment of schizophrenia.