Grundinformationen
- Standard-SMILES
Nc1ccc(F)cc1F- InChIKey
CEPCPXLLFXPZGW-UHFFFAOYSA-N- Summenformel
- C6H5F2N
- Durchschnittliche Molmasse
- 129,11 g/mol
- Monoisotopische Masse
- 129,0390056
Überblick
2,4-difluoroaniline is a dark reddish-purple liquid. (NTP, 1992)
Namen und Bezeichner
- Bevorzugter Name
- 2,4-Difluoroaniline
- IUPAC
- 2,4-difluoroaniline
- Lokaler Name
- 2,4-Difluoranilin
- Englischer Name
- 2,4-Difluoroaniline
- Summenformel
- C6H5F2N
- Molmasse
- 129.11
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
367-25-9- PubChem CID
- 9709
- DTXSID
DTXSID6025064- ChEMBL
CHEMBL1423658- UNII
- 40P93L7KWD
- EC Number
- 206-687-5
- Nikkaji
- J193.875D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,5
- Polarare Oberfläche (TPSA)
- 26 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 97,1
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- -7.5 °C · -7.5 °C (lit.)
- Siedepunkt
- 170 °C/753 · 170 °C/753 mmHg (lit.)
- Dichte
- 1.268 g/mL · 1.268 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.506(lit.)
- Flammpunkt
- 145 °F · 145 °F
- storage temp.
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- Löslichkeit
- Not miscible or difficult to mix.
- Aggregatzustand
- Liquid
- pka
- 3.26 · 3.26±0.10(Predicted)
- Wichte
- 1.284 · 1.284 (20/4℃)
- Farbe
- Clear brown
- Wasserlöslichkeit
- 1 · 1-5 g/100 mL at 20.55 ºC
- Merck
- 14 · 14,3147
- BRN
- 2802556 · 2802556
- Stabilität
- Stable. Combustible. Incompatible with strong oxidizing agents, acids, acid chlorides, acid anhydrides.
- InChI
- 1S/C6H5F2N/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2
- InChIKey
- CEPCPXLLFXPZGW-UHFFFAOYSA-N
- SMILES
- Nc1ccc(F)cc1F
- LogP
- 1.7 at · 1.7 at 25℃ and pH5-9
- CAS Datenbank
- 367 · 367-25-9(CAS DataBase Reference)
- NIST chemische Informationen
- 2 · 2,4-Difluoroaniline(367-25-9)
- EPA chemische Informationen
- 2 · 2,4-Difluoroaniline (367-25-9)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H302 (99.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 157 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Benzenamine, 2,4-difluoro-
Status: Active Update: 19-02-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/24338
Benzenamine, 2,4-difluoro-: Does not have an individual approval but may be used under an appropriate group standard
Reactivity Profile
Anilines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides.
Sicherheit und Schutzausrüstung
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Seal the absorbent paper, as well as any of your clothing which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Wash any surfaces you may have contaminated with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Personal Protective Equipment (PPE)
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
Sicherheitsdaten
- F
- 8-9-23
- wgk
- 1
- tsca
- TSCA listed
- ridadr
- UN 2941 6.1/PG 3
- hs_code
- 29214210
- RTECS-Nr.
- BX3680000
- risk_code
- 20/21/22-36/37/38
- hazard_code
- Xn,T,Xi
- hazard_note
- Toxic
- safety_code
- 28-36/37/39-26-36
- hazard_class
- 6.1
- packing_group
- III
- Speicherklasse
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 4 Oral
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
Verwenden2,4-Difluoroaniline is an important raw material and intermediate used in organic synthesis, pharmaceuticals agrochemicals and dyestuff fields.
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