Grundinformationen
- Standard-SMILES
Cc1cc([N+](=O)[O-])ccc1Cl- InChIKey
BGDCQZFFNFXYQC-UHFFFAOYSA-N- Summenformel
- C7H6ClNO2
- Durchschnittliche Molmasse
- 171,58 g/mol
- Monoisotopische Masse
- 171,0087061
Namen und Bezeichner
- Bevorzugter Name
- Benzene, 1-chloro-2-methyl-4-nitro-
- IUPAC
- 1-chloro-2-methyl-4-nitrobenzene
- Lokaler Name
- 2-Chlor-5-nitrotoluol
- Englischer Name
- 2-Chloro-5-nitrotoluene
- Summenformel
- C7H6ClNO2
- Molmasse
- 171.58
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
13290-74-9- PubChem CID
- 83315
- DTXSID
DTXSID8065402- EC Number
- 236-306-8
- Nikkaji
- J141.339B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,3
- Polarare Oberfläche (TPSA)
- 45,8 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 157
Physikochemische Eigenschaften
- Schmelzpunkt
- 40 · 40-44 °C
- Siedepunkt
- 94 · 94-96°C 4mm
- Dichte
- 1.3246 · 1.3246 (rough estimate)
- Brechungsindex
- 1.5377 · 1.5377 (estimate)
- Flammpunkt
- 94 · 94-96°C/4mm
- storage temp.
- Sealed in dry,Room Temperature
- Aggregatzustand
- powder to crystal
- Farbe
- White to Yellow to Green
- BRN
- 2044766 · 2044766
- InChI
- 1S/C7H6ClNO2/c1-5-4-6(9(10)11)2-3-7(5)8/h2-4H,1H3
- InChIKey
- BGDCQZFFNFXYQC-UHFFFAOYSA-N
- SMILES
- Cc1cc(ccc1Cl)[N+]([O-])=O
- CAS Datenbank
- 13290 · 13290-74-9(CAS DataBase Reference)
- EPA chemische Informationen
- 2 · 2-Chloro-5-nitrotoluene (13290-74-9)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (98.3%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (15.3%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (15.3%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (15.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (15.3%): Harmful if inhaled [Warning Acute toxicity, inhalation];H373 (11.9%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 59 reports by companies from 7 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
Regulatorische Informationen
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3457 6.1/PG 3
- hs_code
- 2902900000
- risk_code
- 22-52/53
- hazard_code
- Xn,N
- safety_code
- 22-36/37-61
- hazard_class
- 6.1
- packing_group
- III
- Speicherklasse
- 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects
- Hazard Classifications
- Acute Tox. 4 Oral
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