CAS 52723-82-7 4-Bromo-5-fluoro-2-methylaniline (HCID 7018044)

Substructure search Find similar structures

Basic information

CAS: 52723-82-7
Standard SMILES: Cc1cc(Br)c(F)cc1N
InChIKey: BRAZFTXACIZDRP-UHFFFAOYSA-N
Molecular formula: C7H7BrFN
Average molar mass: 204.04 g/mol
Monoisotopic mass: 202.97458954

Names & identifiers

Preferred name: 4-Bromo-5-fluoro-2-methylaniline
IUPAC: 4-bromo-5-fluoro-2-methylaniline
English name: 4-Bromo-5-fluoro-2-methylaniline
Molecular formula: C7H7BrFN
Molecular weight: 204.04

Names & synonyms

4-bromo-5-fluoro-2-methylaniline52723-82-7DTXSID60426944RefChem:290937DTXCID90377778MFCD049737534-bromo-5-fluoro-2-methylphenylamineSCHEMBL203096AKOS0160002494-bromo-5-fluoro-2-methyl-phenylamineEN300-1240862-Amino-4-fluoro-5-bromotoluene

Show more names

4-Bromo-5-fluoro-o-toluidineMethyl-4-bromo-5-fluoroaniline2-AMINO-5-BROMO4-FLUORO TOLUENE2-Methyl-4-bromo-5-fluoroaniline4-bromo-5-fluoro-2-methylbenzenamine

4-Bromo-5-fluoro-2-methyl-anilineAM61564Benzenamine, 4-bromo-5-fluoro-2-methyl-BRAZFTXACIZDRP-UHFFFAOYSA-BRAZFTXACIZDRP-UHFFFAOYSA-NCS-W003221FB67813DS-12680

Database identifiers

CAS: 52723-82-7
PubChem CID: 7018044
DTXSID: DTXSID60426944
EC Number: 642-505-4

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 120

Physicochemical properties

Melting point: 77 · 77-80°C
Boiling point: 245 ℃ · 245℃
Density: 1.589 · 1.589
Flash point: 102 ℃ · 102℃
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
form: powder
pka: 2.73 · 2.73±0.10(Predicted)
color: Creamy beige
InChI: InChI=1S/C7H7BrFN/c1-4-2-5(8)6(9)3-7(4)10/h2-3H,10H2,1H3
InChIKey: BRAZFTXACIZDRP-UHFFFAOYSA-N
SMILES: C1(N)=CC(F)=C(Br)C=C1C
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P271-P280
HS Code: 2921410090 · 2921410090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.