CAS 367-24-8 4-Bromo-2-fluoroaniline (HCID 123050)

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Basic information

CAS: 367-24-8
Standard SMILES: Nc1ccc(Br)cc1F
InChIKey: GZRMNMGWNKSANY-UHFFFAOYSA-N
Molecular formula: C6H5BrFN
Average molar mass: 190.01 g/mol
Monoisotopic mass: 188.95894

Names & identifiers

Preferred name: 4-Bromo-2-fluoroaniline
IUPAC: 4-bromo-2-fluoroaniline
English name: 4-Bromo-2-fluoroaniline
Molecular formula: C6H5BrFN
Molecular weight: 190.01

Names & synonyms

4-Bromo-2-fluoroaniline367-24-8Benzenamine, 4-bromo-2-fluoro-EINECS 206-685-4DTXSID90190141RefChem:98077DTXCID00112632206-685-4GZRMNMGWNKSANY-UHFFFAOYSA-N2-fluoro-4-bromoaniline4-bromo-2-fluoro-aniline4-bromo-2-fluorobenzenamine

Show more names

4-Bromo-2-fLAKOS BBS-00003609Abesili impurity 9Bromofluoroaniline44-Bromo-2-fluoroanil4-Brom-2-fluoranilinFluoro-4-bromoaniline

4-bromo-2-fluorophenylamineMFCD00010221F2190-04604-Bromo-2-fluoro-phenylamine4-bromo-2-fluoro anilineVandetanib Impurity 24-bromo-2fluoroaniline4-bromo-2 fluoroaniline

Database identifiers

CAS: 367-24-8
PubChem CID: 123050
DTXSID: DTXSID90190141
UNII: EP4Q7AMQ8Y
EC Number: 206-685-4
Nikkaji: J193.874F

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 99

Physicochemical properties

Melting point: 40 · 40-42 °C
Boiling point: 103 · 103-108 °C (13 mmHg)
Density: 1.6196 · 1.6196 (rough estimate)
refractive index: 1.471 · 1.4710 (estimate)
Flash point: 220 °F · 220 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 2.5 · 2.50±0.10(Predicted)
form: Crystalline Mass, Powder, Crystals and/or Chunks
color: Beige to light brown to brown-gray or gray
BRN: 2081089 · 2081089
Stability: Stable. Incompatible with acid chlorides, acid anhydrides, strong acids, strong oxidizing agents.
InChI: InChI=1S/C6H5BrFN/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2
InChIKey: GZRMNMGWNKSANY-UHFFFAOYSA-N
SMILES: C1(N)=CC=C(Br)C=C1F
CAS DataBase Reference: 367 · 367-24-8(CAS DataBase Reference)

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (14.8%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (14.8%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (92.6%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (92.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (14.8%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (90.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 54 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (14.8%)；Acute Tox. 4 (14.8%)；Skin Irrit. 2 (92.6%)；Eye Irrit. 2 (92.6%)；Acute Tox. 4 (14.8%)；STOT SE 3 (90.7%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
ridadr: UN2811
hs_code: 29214200
risk_code: 36/37/38-20/21/22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,T,Xn

Chemistry & industry

Applications

Uses4-Bromo-2-fluoroaniline can be used as organic synthesis intermediates and pharmaceutical intermediates, mainly used in laboratory research and development processes and chemical production processes.

Uses4-Bromo-2-fluoroaniline was used in synthesis of 4-amino-3-fluorophenyl boronic acid. It was also used in chemical modification and synthesis of boronic acid derivatives for ultraviolet-visible titration.