2,4-Difluoroaniline

HCID 9709CAS 367-25-9

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

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 properties

XLogP
1.5
Topological polar surface area
26 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
9

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/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

Safety & regulation

GHS classification

GHS Classification · 4 items

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 · 3 items

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 · 1 item

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

Fire FightingFires involving this compound can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 item

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 · 1 item

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.

Isolation and EvacuationExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Personal Protective Equipment (PPE) · 1 item

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

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzenamine, 2,4-difluoro-: ACTIVE
Applications · 3 items

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.

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
爱斯特(成都)生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

Related reactions

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Linked notes

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