2,5-Difluoroaniline
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Basic information
- CAS
367-30-6- Standard SMILES
Nc1cc(F)ccc1F- InChIKey
YNOOQIUSYGWMSS-UHFFFAOYSA-N- Molecular formula
- C6H5F2N
- Average molar mass
- 129.11 g/mol
- Monoisotopic mass
- 129.03900549
Names & identifiers
- Preferred name
- 2,5-Difluoroaniline
- IUPAC
- 2,5-difluoroaniline
- English name
- 2,5-Difluoroaniline
- Molecular formula
- C6H5F2N
- Molecular weight
- 129.11
Names & synonyms
2,5-Difluoroaniline367-30-6Benzenamine, 2,5-difluoro-2,5-difluorobenzenamineAI3-526372,5-difluoroaminobenzeneNSC-32594JNJ8ZZ368DTXSID70190144RefChem:82842DTXCID80112635206-690-1
Show more names
Difluoroaniline32,5-Difluoranilin2,5-Difluoroaniline,98%2,5-Difluoroaniline 98%2,5-Difluoroaniline,99%2,5-Difluoroaniline >
2,5-difluoro-anilineMFCD000076512.5-difluoroanilineAniline, 2,5-difluoro-EINECS 206-690-1Aniline,5-difluoro-2,5-difluorophenylamineBenzenamine,5-difluoro-
Database identifiers
- CAS
367-30-6- PubChem CID
- 67775
- DTXSID
DTXSID70190144- UNII
- 4JNJ8ZZ368
- EC Number
- 206-690-1
- Nikkaji
- J79.604B
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
Physicochemical properties
- Melting point
- 11 · 11-13 °C (lit.)
- Boiling point
- 176 · 176-178 °C (lit.)
- Density
- 1.288 g/mL · 1.288 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.513(lit.)
- Flash point
- 156 °F · 156 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 2.19 · 2.19±0.10(Predicted)
- form
- clear liquid
- color
- Colorless to Yellow to Orange
- Specific Gravity
- 1.29 · 1.29
- Water Solubility
- Not miscible in water.
- BRN
- 2802549 · 2802549
- InChI
- InChI=1S/C6H5F2N/c7-4-1-2-5(8)6(9)3-4/h1-3H,9H2
- InChIKey
- YNOOQIUSYGWMSS-UHFFFAOYSA-N
- SMILES
- C1(N)=CC(F)=CC=C1F
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- F
- 8-10-23
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- 2941
- hs_code
- 29214210
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- hazard_note
- Irritant
- safety_code
- 28-36/37/39-26-36
- hazard_class
- 6.1
- Storage Class
- 10 - Combustible liquids
- packing_group
- III
- Hazard statements
- H302+H312+H332-H317
- 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)
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralSkin Sens. 1
- Precautionary statements
- P261-P264-P280-P301+P312-P302+P352+P312-P304+P340+P312
Chemistry & industry
Applications
Uses2,5-Difluoroaniline was used in the synthesis of 2,4-di-tert-butyl-6-[(2,5-difluorophenyl)iminomethyl]phenol. It was also used in ultrasound-assisted preparation of 1,4-diazabutadienes. It is an important raw material and intermediate used in Organic Synthesis, Pharmaceuticals, Agrochemicals and Dyestuff.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
109 records
Compound notes
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