5-Chloro-2,4-dinitrotoluene
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Grundinformationen
- CAS
51676-74-5- Standard-SMILES
Cc1cc(Cl)c([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
KPDPGZNHKMJEFZ-UHFFFAOYSA-N- Summenformel
- C7H5ClN2O4
- Durchschnittliche Molmasse
- 216,58 g/mol
- Monoisotopische Masse
- 215,9937843
Namen und Bezeichner
- Bevorzugter Name
- 5-Chloro-2,4-dinitrotoluene
- IUPAC
- 1-chloro-5-methyl-2,4-dinitrobenzene
- Englischer Name
- 5-Chloro-2,4-dinitrotoluene
- Summenformel
- C7H5ClN2O4
- Molmasse
- 216.58
Namen und Synonyme
5-Chloro-2,4-dinitrotolueneToluene, 5-chloro-2,4-dinitro-DTXSID90291667RefChem:102291DTXCID90242811626-229-1KPDPGZNHKMJEFZ-UHFFFAOYSA-N51676-74-51-chloro-5-methyl-2,4-dinitrobenzeneMFCD000412351-chloro-5-methyl-2,4-dinitro-benzene2-chloro-4-methyl-1,5-dinitrobenzene
Weitere Namen anzeigen
5-Chloro-2,4-dinitrotoluene 98%Benzene, 1-chloro-5-methyl-2,4-dinitro-1-Chloro-2,4-dinitro-5-methylbenzene, 4,6-Dinitro-m-tolyl chloride
NSC770495-Chlor-2.4-dinitrotoluolNCIOpen2_0040683-Chloro-4,6-dinitrotolueneSCHEMBL358890NSC-77049SBB0953165-Chloro 2,4 dinitro toluene-97%
Datenbank-Bezeichner
- CAS
51676-74-5- PubChem CID
- 253802
- DTXSID
DTXSID90291667- EC Number
- 626-229-1
- Nikkaji
- J308.195H
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 2,6
- Polarare Oberfläche (TPSA)
- 91,6 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 249
Physikochemische Eigenschaften
- Schmelzpunkt
- 87 · 87-91 °C (lit.)
- Siedepunkt
- 334 · 334.0±37.0 °C(Predicted)
- Dichte
- 1.4054 g/cm3 · 1.4054 g/cm3(Temp: 99.2 °C)
- Aggregatzustand
- solid
- BRN
- 2506591 · 2506591
- InChI
- 1S/C7H5ClN2O4/c1-4-2-5(8)7(10(13)14)3-6(4)9(11)12/h2-3H,1H3
- InChIKey
- KPDPGZNHKMJEFZ-UHFFFAOYSA-N
- SMILES
- Cc1cc(Cl)c(cc1[N+]([O-])=O)[N+]([O-])=O
- CAS Datenbank
- 51676 · 51676-74-5(CAS DataBase Reference)
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
Warning
H317 (90.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 2 notifications to the ECHA C&L Inventory.；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 CategoriesSkin Sens. 1 (90.7%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- 2811
- hs_code
- 29049090
- risk_code
- 43
- hazard_code
- Xi
- hazard_note
- Harmful/Irritant
- safety_code
- 36/37
- hazard_class
- 6.1
- packing_group
- III
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Skin Sens. 1
Chemie und Industrie
Anwendungen
Verwenden5-Chloro-2,4-dinitrotoluene (5CDNT) may be used to synthesize 5-methyl-6-nitrobenzofuroxan.
Anbieter35 Anbieter
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