3,5-Dichloro-4-fluoroaniline

HCID 75948

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Basic information

CAS: 2729-34-2
Standard SMILES: Nc1cc(Cl)c(F)c(Cl)c1
InChIKey: NKTZSKQMAITPBQ-UHFFFAOYSA-N
Molecular formula: C6H4Cl2FN
Average molar mass: 180 g/mol
Monoisotopic mass: 178.97048271

Names & identifiers

Preferred name: 3,5-Dichloro-4-fluoroaniline
IUPAC: 3,5-dichloro-4-fluoroaniline
English name: 3,5-dichloro-4-fluoroaniline
Molecular formula: C6H4Cl2FN
Molecular weight: 180.01

Names & synonyms

3,5-Dichloro-4-fluoroaniline2729-34-23,5-dichloro-4-fluorobenzenamineEINECS 220-345-2DTXSID30181730RefChem:486726DTXCID70104221220-345-2MFCD098354923,5-dichloro-4-fluoro-aniline3,5-Dichloro-4-fluoro-phenylamineBenzenamine, 3,5-dichloro-4-fluoro-

Show more names

,5-Dichloro-4-fluoroaniline3,5-Dichloro-4-fluoroaniline 98%(3,5-dichloro-4-fluoro-phenyl)amine3,5-dichloro-4-fluoroaniline ISO 9001：2015 REACH

EN300-133138DW2JV2LFC3SCHEMBL1029756BDBM626017AKOS005063686AC-3736CS-W005075DS-1903

Database identifiers

CAS: 2729-34-2
PubChem CID: 75948
DTXSID: DTXSID30181730
UNII: DW2JV2LFC3
EC Number: 220-345-2
Nikkaji: J299.201I

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 110

Physicochemical properties

Melting point: 100 · 100-101°C
Boiling point: 287.2 · 287.2±35.0 °C(Predicted)
Density: 1.502 · 1.502±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
form: crystalline needles
pka: 2.54 · 2.54±0.10(Predicted)
color: Pale grey
InChI: InChI=1S/C6H4Cl2FN/c7-4-1-3(10)2-5(8)6(4)9/h1-2H,10H2
InChIKey: NKTZSKQMAITPBQ-UHFFFAOYSA-N
SMILES: C1(N)=CC(Cl)=C(F)C(Cl)=C1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332
Precautionary statements: 271 · P271-P280
HS Code: 2921420090 · 2921420090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, 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.