StartseiteMCPWorkbenchSkills
StartseiteWorkbenchBenachrichtigungenMein Bereich
llms.txt · MCP-AnleitungDatenschutz · Nutzungsbedingungen · Supportv1.8.0
  1. Startseite
  2. /Verbindung

1-Chlor-3,4-dinitrobenzol

4-Chloro-1,2-dinitrobenzene

HCID 33097
Neue NotizNeue ReaktionAnfrage stellen
Druckvorschau

Daten werden ergänzt – lade die Seite später neu, um den aktuellen Stand zu sehen

GrundinformationenNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

CAS
610-40-2
Standard-SMILES
O=[N+]([O-])c1ccc(Cl)cc1[N+](=O)[O-]
InChIKey
QVQSOXMXXFZAKU-UHFFFAOYSA-N
Summenformel
C6H3ClN2O4
Durchschnittliche Molmasse
202,55 g/mol
Monoisotopische Masse
201,9781343

Namen und Bezeichner

Bevorzugter Name
4-Chloro-1,2-dinitrobenzene
IUPAC
4-chloro-1,2-dinitrobenzene
Lokaler Name
1-Chlor-3,4-dinitrobenzol
Englischer Name
3,4-Dinitrochlorobenzene
Summenformel
C6H3ClN2O4
Molmasse
202.55

Namen und Synonyme

610-40-24-Chloro-1,2-dinitrobenzene1-Chloro-3,4-dinitrobenzeneBenzene, 4-chloro-1,2-dinitro-Z29B1F274E1,2-dinitro-4-chlorobenzeneEINECS 210-223-7NSC 119343NSC-119343DTXSID3060586RefChem:520704DTXCID7042932
Weitere Namen anzeigen
Bendamustine Impurity 544-Chloro-1,2-dinitrobenzen3,4-Dinitrochlorobenzene>1-CHLORO-3,4-DINITROBENZENE1,2-Dinitro-5-chlorobenzene1-Chloro-3,4-dinitrobenzene, 92%+
210-223-73,4-DinitrochlorobenzeneMFCD000072124-chloro-1,2-dinitro-benzene1-Chloro-3.4-dinitrobenzeneSCHEMBL1524058AKOS015889665Q2651784

Datenbank-Bezeichner

CAS
610-40-2
PubChem CID
33097
DTXSID
DTXSID3060586
UNII
Z29B1F274E
EC Number
210-223-7
Nikkaji
J95.614G

Eigenschaften

Berechnete StruktureigenschaftenWird ergänzt

XLogP
2,2
Polarare Oberfläche (TPSA)
91,6 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
0
Schwere Atome
13
Formalladung
0
Komplexität
224

Experimentelle und physikochemische Eigenschaften

DensityRelative density (water = 1): 1.687
Flash Point>110 °C
Decomposition315 °C
Melting Point40-41 °C
Physical DescriptionYELLOW CRYSTALS.
Kovats Retention Index1546.8

Physikochemische Eigenschaften

Schmelzpunkt
40 · 40-41 °C
Siedepunkt
16 °C · 16 °C (4 mmHg)
Dichte
1.687 g/mL · 1.687 g/mL at 25 °C(lit.)
Brechungsindex
20 · n20/D 1.587(lit.)
Flammpunkt
230 °F · >230 °F
storage temp.
0 · 0-10°C
Aggregatzustand

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral];H311 (97.8%): Toxic in contact with skin [Danger Acute toxicity, dermal];H331 (91.1%): Toxic if inhaled [Danger Acute toxicity, inhalation];H373 (97.8%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure];H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard];H410 (97.8%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P260, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P361+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 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

Regulatory InformationBenzene, 4-chloro-1,2-dinitro-: Does not have an individual approval but may be used under an appropriate group standard
Fire HazardsCombustible. Gives off irritating or toxic fumes (or gases) in a fire.
EC ClassificationSymbol: T, N; R: 23/24/25-33-50/53; S: (1/2)-28-36/37-45-60-61; Note: C
UN ClassificationUN Hazard Class: 6.1; UN Pack Group: II

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzene, 4-chloro-1,2-dinitro-: ACTIVE
Anwendungen · 3 Einträge

BeschreibungSecurinine is derived from the leaf of Securinega suffruticosa Rehd., which was first separated by V.I.Murav’eva in 1956 . Securinega suffruticosa Rehd., a kind of subshrub plant, is widely distributed in temperate and subtropical regions . It has strong adaptability and can be planted in most parts of China. Moreover, it is rich in natural resources. Securinega suffruticosa Rehd. is a folk medicine whose root is the main component, with the effects of activating circulation, spleen, and stomach to treat rheumatism waist pain, limb numbness, infant malnutrition, and other diseases. The roots, stems, leaves, flowers, and skin of Securinega suffruticosa Rehd. contain alkaloids, in which securinine is the main ingredient.

HistorySecurinine was first isolated by a Soviet scholar from the Wusuli region, but its chemical structure was separated and finally determined by Chinese scholars from local sources . The main structural feature is a tetracyclic compound containing an indolizine, pyrrole elidine, or quinolizine ring and an α, β-unsaturated pentahydrin ring whose basic structural skeleton type is as shown in what follows .Owing to the complexity of the chemical reaction of securinine, reports on its chemical reactivity and structural modification have been relatively scarce since securinine was reported on in 1956. However, the research on chemical total synthesis and biological activities of securinine has made a certain amount of progress.Securinine has a rigid molecular structure containing four rings and three chiral centers, which makes synthesis difficult. From 1974 to 1978, three research groups from Japan, the USA, and Canada studied the biosynthesis of securinine by feeding animals with isotope-labeled S. suffruticosa.

Verwenden3,4-Dinitrochlorobenzene is a useful reactant in organic synthesis.

Vor- und nachgelagerte Produkte

Nachgelagerte Produkte

Zugehörige Reaktionen

39
Reaktionsaufzeichnung erstellen
Reaktionsgleichung von HRID 3971
HRID 3971als Eduktuspto-grants-1988_02
Reaktionsgleichung von HRID 140083
HRID 140083als EduktTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaktionsgleichung von HRID 311045
HRID 311045als EduktTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaktionsgleichung von HRID 412696
HRID 412696als Eduktuspto-grants-2003_05
Reaktionsgleichung von HRID 463553
HRID 463553als Eduktuspto-grants-1985_05
Reaktionsgleichung von HRID 463560
HRID 463560als Eduktuspto-grants-1985_05
Reaktionsgleichung von HRID 483909
HRID 483909als Eduktuspto-grants-1993_07
Reaktionsgleichung von HRID 662224
HRID 662224als EduktTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
Seite 1 von 5

Notizen zur Verbindung

Wird geladen…

Auf dieser SeiteGrundinformationenNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
Weitere Aktionen
Neue NotizNeue ReaktionAnfrage stellen
Oily Liquid
Farbe
Yellow-brown
Wasserlöslichkeit
insoluble
BRN
521564 · 521564
CAS Datenbank
610 · 610-40-2(CAS DataBase Reference)
NIST chemische Informationen
4 · Benzene, 4-chloro-1,2-dinitro-(610-40-2)
EPA chemische Informationen
4 · Benzene, 4-chloro-1,2-dinitro- (610-40-2)
Chemical Dangers
Decomposes on heating. This produces toxic and corrosive fumes. Reacts with strong oxidants and strong bases.
Packaging and LabellingDo not transport with food and feedstuffs. Marine pollutant.
Hazard Classes and CategoriesAcute Tox. 3 (100%);Acute Tox. 3 (97.8%);Acute Tox. 3 (91.1%);STOT RE 2 (97.8%);Aquatic Acute 1 (100%);Aquatic Chronic 1 (97.8%)

Sicherheit und Schutzausrüstung

Fire FightingUse water spray, powder, foam, carbon dioxide.
First Aid Measures · 4 Einträge

Fresh air, rest. Artificial respiration may be needed. Refer for medical attention.

First rinse with plenty of water for at least 15 minutes, then remove contaminated clothes and rinse again. Refer for medical attention .

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Rinse mouth. Induce vomiting (ONLY IN CONSCIOUS PERSONS!). Refer for medical attention .

Safe StorageSeparated from strong oxidants, strong bases and food and feedstuffs. Well closed. Keep in a well-ventilated room.
Spillage Disposal · 1 Eintrag

Sweep spilled substance into covered containers. If appropriate, moisten first to prevent dusting. Carefully collect remainder. Then store and dispose of according to local regulations. Personal protection: chemical protection suit including self-contained breathing apparatus.

Eye PreventionWear face shield.
Fire PreventionNO open flames.
Inhalation RiskNo indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.
Skin PreventionProtective gloves. Protective clothing.
Exposure PreventionPREVENT DISPERSION OF DUST!
Ingestion PreventionDo not eat, drink, or smoke during work.
Inhalation PreventionUse local exhaust or breathing protection.
Effects of Long Term ExposureRepeated or prolonged contact may cause skin sensitization. The substance may have effects on the central nervous system, cardiovascular system and blood. This may result in the formation of methaemoglobin.

Toxikologische Informationen

Exposure RoutesThe substance can be absorbed into the body by inhalation and through the skin.
Signs and Symptoms · 3 Einträge

Blue lips, fingernails and skin. Headache. Dizziness. Nausea. Confusion. Laboured breathing. Convulsions. Unconsciousness.

MAY BE ABSORBED! Further see Inhalation.

Further see Inhalation.

Regulatorische Informationen

Regulatory InformationBenzene, 4-chloro-1,2-dinitro-: Does not have an individual approval but may be used under an appropriate group standard

Sicherheitsdaten

wgk
3
tsca
TSCA listed
ridadr
UN 3441 6.1/PG 2
hs_code
2904990090
risk_code
23/24/25-33-50/53
hazard_code
T,N
safety_code
28-36/37-45-60-61-28A
hazard_class
6.1
packing_group
II
5-Chlor-2-nitrodiphenylamin
2-Chlor-1-fluor-4-nitrobenzol
p-[[p-(Phenylazo)phenyl]azo]phenol
(5-Chloro-2-nitrophenyl)hydrazine