2-Chloro-4-fluoro-5-nitrotoluene

HCID 10103979CAS 112108-73-3

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Grundinformationen

Standard-SMILES: Cc1cc([N+](=O)[O-])c(F)cc1Cl
InChIKey: YXVJHZWHPLOEAP-UHFFFAOYSA-N
Summenformel: C7H5ClFNO2
Durchschnittliche Molmasse: 189,57 g/mol
Monoisotopische Masse: 188,9992843

Namen und Bezeichner

Bevorzugter Name: 2-Chloro-4-fluoro-5-nitrotoluene
IUPAC: 1-chloro-5-fluoro-2-methyl-4-nitrobenzene
Englischer Name: 1-CHLORO-5-FLUORO-2-METHYL-4-NITRO-BENZENE
Summenformel: C7H5ClFNO2
Molmasse: 189.57

Namen und Synonyme

2-Chloro-4-fluoro-5-nitrotoluene112108-73-3DTXSID60435612RefChem:258751DTXCID60386438834-027-11-chloro-5-fluoro-2-methyl-4-nitrobenzene1-chloro-5-fluoro-2-methyl-4-nitro-benzeneMFCD11110549Benzene, 1-chloro-5-fluoro-2-methyl-4-nitro-2-Chloro-4fluoro-5-nitrotolueneAKOS006308726

Weitere Namen anzeigen

2-Chloro-4-fluoro-5-nitrotoluene,97%4-Chloro-2-fluoro-5-methylnitrobenzene1-CHLORO-5-FLUORO-2-METHYL-4-NITRO-BENZENE ISO 9001：2015 REACH4-Chloro-2-fluoro-5-methylnitrobenzene, 1-Chloro-5-fluoro-2-methyl-4-nitrobenzene

AS-11489C3273BCP12284FT-0699691SCHEMBL600893Chloro-4-fluoro-5-nitrotolueneSCHEMBL10714257SCHEMBL29936995

Datenbank-Bezeichner

CAS: 112108-73-3
PubChem CID: 10103979
DTXSID: DTXSID60435612
EC Number: 834-027-1

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,8
Polarare Oberfläche (TPSA): 45,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 12
Formalladung: 0
Komplexität: 185

Physikochemische Eigenschaften

Schmelzpunkt: 34 · 34-36℃
Siedepunkt: 268 ℃ · 268℃
Dichte: 1.417 · 1.417
Flammpunkt: 116 ℃ · 116℃
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: Powder
Farbe: Yellow
Wasserlöslichkeit: Slightly soluble in water.
InChI: InChI=1S/C7H5ClFNO2/c1-4-2-7(10(11)12)6(9)3-5(4)8/h2-3H,1H3
InChIKey: YXVJHZWHPLOEAP-UHFFFAOYSA-N
SMILES: C1(Cl)=CC(F)=C([N+]([O-])=O)C=C1C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 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.