Grundinformationen
- 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
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
610-40-2- PubChem CID
- 33097
- DTXSID
DTXSID3060586- UNII
- Z29B1F274E
- EC Number
- 210-223-7
- Nikkaji
- J95.614G
Eigenschaften
Berechnete Struktureigenschaften
- 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
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
- 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)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
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
Sicherheit und Schutzausrüstung
First Aid Measures
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 .
Spillage Disposal
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.
Toxikologische Informationen
Signs and Symptoms
Blue lips, fingernails and skin. Headache. Dizziness. Nausea. Confusion. Laboured breathing. Convulsions. Unconsciousness.
MAY BE ABSORBED! Further see Inhalation.
Further see Inhalation.
Regulatorische Informationen
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
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
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.
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