4,5-Dichloro-2-fluoroaniline

HCID 223091CAS 2729-36-4

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Basic information

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 properties

XLogP: 3.2
Topological polar surface area: 26 Å²
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

GHS classification

GHS Classification · 4 items

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.