3-Chloro-2,4-difluoroaniline
Basic information
- CAS
2613-34-5- Standard SMILES
Nc1ccc(F)c(Cl)c1F- InChIKey
BNTNWQPIBPBJOO-UHFFFAOYSA-N- Molecular formula
- C6H4ClF2N
- Average molar mass
- 163.55 g/mol
- Monoisotopic mass
- 163.0000331
Overview
See also: 3-Chloro-2,4-difluorobenzenamine (annotation moved to).
Names & identifiers
- Preferred name
- 3-Chloro-2,4-difluoroaniline
- IUPAC
- 3-chloro-2,4-difluoroaniline
- English name
- 3-Chloro-2,4-difluoroaniline 99
- Molecular formula
- C6H4ClF2N
- Molecular weight
- 163.55
Names & synonyms
3-chloro-2,4-difluoroaniline2613-34-5Benzenamine, 3-chloro-2,4-difluoro-MFCD000422002,4-DIFLUORO-3-CHLOROANILINE3-chloro-2,4-difluoro-anilineNSC10276SCHEMBL159290DTXSID10278839CS-B0682STR035893-chloro-2,4-difluorophenylamine
Show more names
NSC 102763-Chloro-2,4-diflurozniline3-CHLORO-2,4-DIFLUOROANILIN3-Chloro-2,4-difluoroaniline 993-Chloro-2,4-difluoroaniline 99%(3-chloro-2,4-difluoro-phenyl)amine3-CHLORO-2,4-DIFLUOROANILINE 99 ISO 9001：2015 REACH
Benzenamine,3-chloro-2,4SCHEMBL1990094SCHEMBL29658929Benzenamine,3-chloro-2,4-difluoro-NSC-10276SBB051702AKOS015920108SB76537
Database identifiers
- CAS
2613-34-5- PubChem CID
- 223089
- DTXSID
DTXSID10278839- Nikkaji
- J969.772A
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 122
Physicochemical properties
- Melting point
- 60 · 60-62°C
- Boiling point
- 222.8 · 222.8±35.0 °C(Predicted)
- Density
- 1.459 · 1.459±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 2.21 · 2.21±0.10(Predicted)
- form
- crystalline solid
- color
- Faint grey/purple
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 26 · 26-37/39
- Hazard Note
- Harmful/Irritant
- HS Code
- 2921420090 · 2921420090
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
- hs_code
- 2921420090
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Harmful/Irritant
- safety_code
- 26-37/39
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
6 records
Compound notes
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