4,5-Dichloro-2-fluoroaniline
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Basic information
- CAS
2729-36-4- Standard SMILES
Nc1cc(Cl)c(Cl)cc1F- InChIKey
FHJVHVKVTUTGTA-UHFFFAOYSA-N- Molecular formula
- C6H4Cl2FN
- Average molar mass
- 180 g/mol
- Monoisotopic mass
- 178.97048271
Names & identifiers
- Preferred name
- 4,5-Dichloro-2-fluoroaniline
- IUPAC
- 4,5-dichloro-2-fluoroaniline
- English name
- 3,4-Dichloro-6-fluoroaniline
- Molecular formula
- C6H4Cl2FN
- Molecular weight
- 180.01
Names & synonyms
4,5-dichloro-2-fluoroanilineDTXSID20278840RefChem:507661DTXCID00229996860-334-52729-36-43,4-dichloro-6-fluoroanilineMFCD19707630NSC10278Benzenamine, 4,5-dichloro-2-fluoro-SCHEMBL14776384,5-Dichloro-2-fluoro-aniline
Show more names
3,4-Dichloro-6-fluoroaniline,96%4,5-dichloro-2-fluoroaniline hydrochloride
4,5-Dichloro-2-fluorobenzenamine4,5-Dichloro-2-fluorophenylamineAMY14SCHEMBL30573328(4,5-Dichloro-2-fluorophenyl)amineNSC-102783,4-Dichloro-6-fluoroaniline, 97%AKOS016007395
Database identifiers
- CAS
2729-36-4- PubChem CID
- 223091
- DTXSID
DTXSID20278840- EC Number
- 860-334-5
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 122
Physicochemical properties
- Boiling point
- 251.8 · 251.8±35.0 °C(Predicted)
- Density
- 1.502 · 1.502±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 1.51 · 1.51±0.10(Predicted)
- Appearance
- Off-white to gray Solid
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H315-H319-H331-H335
- Precautionary statements
- 261 · P261-P280-P304+P340-P305+P351+P338-P405-P501a
- HazardClass
- 6.1 · 6.1
- 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.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2921420090
- Signal word
- Warning
- Symbol(GHS)
- GHS06
- hazard_class
- 6.1
- Hazard statements
- H302-H312-H315-H319-H331-H335
- Precautionary statements
- P261-P280-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses3,4-Dichloro-6-fluoroaniline is used as pharmaceutical intermediates
Upstream & downstream products
Upstream raw materials
Related reactions
19 records
Compound notes
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