Basic information
- 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
Show more names
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 properties
- 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
Physicochemical properties
- Melting point
- -7.5 °C · -7.5 °C (lit.)
- Boiling point
- 170 °C/753 · 170 °C/753 mmHg (lit.)
- Density
- 1.268 g/mL · 1.268 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.506(lit.)
- Flash point
- 145 °F · 145 °F
- storage temp.
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- solubility
- Not miscible or difficult to mix.
- form
- Liquid
- pka
- 3.26 · 3.26±0.10(Predicted)
- Specific Gravity
- 1.284 · 1.284 (20/4℃)
- color
- Clear brown
- Water Solubility
- 1 · 1-5 g/100 mL at 20.55 ºC
- Merck
- 14 · 14,3147
- BRN
- 2802556 · 2802556
- Stability
- 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 DataBase Reference
- 367 · 367-25-9(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 40 P93L7KWD · 40P93L7KWD
- NIST Chemistry Reference
- 2 · 2,4-Difluoroaniline(367-25-9)
- EPA Substance Registry System
- 2 · 2,4-Difluoroaniline (367-25-9)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 302 · H302-H311
- Precautionary statements
- 264 · P264-P270-P280-P301+P312-P302+P352+P312-P361+P364
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xn,T,Xi
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 28 · 28-36/37/39-26-36
- RIDADR
- 2941 · UN 2941 6.1/PG 3
- WGK Germany
- 1 · 1
- RTECS
- 3680000 · BX3680000
- F
- 8 · 8-9-23
- Hazard Note
- Toxic
- TSCA
- TSCA listed
- HazardClass
- 6.1 · 6.1
- PackingGroup
- III
- HS Code
- 29214210 · 29214210
- Storage Class
- 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- 3 DermalAcute · Acute Tox. 3 DermalAcute Tox. 4 Oral
- REACH Registrations
- Inactive
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
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
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.
Safety & protection
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)
Safety data
- F
- 8-9-23
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- BX3680000
- ridadr
- UN 2941 6.1/PG 3
- hs_code
- 29214210
- risk_code
- 20/21/22-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- Xn,T,Xi
- hazard_note
- Toxic
- safety_code
- 28-36/37/39-26-36
- hazard_class
- 6.1
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- packing_group
- III
- Hazard statements
- H302-H311
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- REACH Registrations
- Inactive
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 4 Oral
- Precautionary statements
- P264-P270-P280-P301+P312-P302+P352+P312-P361+P364
Chemistry & industry
Uses & manufacturing
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
Suppliers50 total
Related reactions
Linked notes
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