2,4-Difluoroaniline
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Basic information
- CAS
367-25-9- Standard SMILES
Nc1ccc(F)cc1F- InChIKey
CEPCPXLLFXPZGW-UHFFFAOYSA-N- Molecular formula
- C6H5F2N
- Average molar mass
- 129.11 g/mol
- Monoisotopic mass
- 129.0390056
Overview
2,4-difluoroaniline is a dark reddish-purple liquid. (NTP, 1992)
Names & identifiers
- Preferred name
- 2,4-Difluoroaniline
- IUPAC
- 2,4-difluoroaniline
- English name
- 2,4-Difluoroaniline
- Molecular formula
- C6H5F2N
- Molecular weight
- 129.11
Names & synonyms
2,4-DIFLUOROANILINE367-25-92,4-DifluorobenzenamineBenzenamine, 2,4-difluoro-Aniline, 2,4-difluoro-DTXSID602506440P93L7KWDNSC-10297DTXCID905064RefChem:82418206-687-52,4-Difluroaniline
Show more names
Difluoroaniline4-Difluoroaniline2,4-difluoro-anilinAKOS 911272,4-Difluoranilin2,4-DIFLOUROANILINE
2,4-DifluorophenylamineMFCD000076482.4-difluoroaniline2,?4-?difluoro-BenzenamineFlurbiprofen Impurity 53CCRIS 46212,4-Difluoro AnilineEINECS 206-687-5
Database identifiers
- CAS
367-25-9- PubChem CID
- 9709
- DTXSID
DTXSID6025064- ChEMBL
CHEMBL1423658- UNII
- 40P93L7KWD
- EC Number
- 206-687-5
- Nikkaji
- J193.875D
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 97.1
Experimental & physicochemical properties
Density1.268 (NTP, 1992) - Denser than water; will sink
Solubility10 to 50 mg/mL at 68.9 °F (NTP, 1992)
Flash Point145 °F (NTP, 1992)
Boiling Point338 °F at 753 mmHg (NTP, 1992)
Melting Point18.5 °F (NTP, 1992)
Physical Description2,4-difluoroaniline is a dark reddish-purple liquid. (NTP, 1992)
Physicochemical properties
- Melting point
- 7.5 °C · −7.5 °C (lit.)
- Boiling point
- 170 °C · 170 °C
- Density
- 1.28 · 1.28
- refractive index
- 1.51 · 1.51
- Flash point
- 62 °C · 62 °C
- storage temp.
- 2 · Keep in dark place,Inert atmosphere,2-8°C
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
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.
Hazard information
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
DOT LabelPoison
Fire HazardsThis compound is combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: This compound may be irritating to tissues. (NTP, 1992)
Reactive GroupAryl Halides
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.
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenamine, 2,4-difluoro-: ACTIVE
Applications
Description2,4-difluoroaniline is an important intermediate used in organic synthesis, pharmaceuticals agrochemicals, dyes, and agricultural chemicals.
Uses2,4-Difluoroaniline is an important raw material and intermediate used in organic synthesis, pharmaceuticals agrochemicals and dyestuff fields.
General DescriptionDark reddish-purple liquid.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
373 records
Compound notes
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