CAS 407-20-5 3-Bromo-5-fluoropyridine (HCID 820206)

Names & identifiers

Preferred name: 3-Bromo-5-fluoropyridine
IUPAC: 3-bromo-5-fluoropyridine
English name: 3-Bromo-5-fluoropyridine
Molecular formula: C5H3BrFN
Molecular weight: 175.99

Names & synonyms

3-bromo-5-fluoropyridine407-20-5DTXSID80356173RefChem:277579DTXCID90307232627-401-95-Bromo-3-fluoropyridine3-Bromo-5-fluoro-pyridineMFCD041125553-fluoro-5-bromopyridine3-bromo-5-fluoro pyridinePyridine, 3-bromo-5-fluoro-

Show more names

3-Bruoropyridine3-Bromo-5-fL3-bromo-5-fluoropyridin5-Fluoro-3-bromopyridine5-broMo-3-fluoride pyridine3-Bromo-5-fluoropyridine98%

3-Bromo-5-fluoropyridine, 97%AKOS005063996CS-W001250PS-8596SY003442AO-160/25072004AM20070042FT-0601290

Database identifiers

CAS: 407-20-5
PubChem CID: 820206
DTXSID: DTXSID80356173
EC Number: 627-401-9
Nikkaji: J2.671.676D

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 12.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 78.8

Physicochemical properties

Melting point: 24 · 24-28 °C
Boiling point: 78 °C · 78 °C / 11mmHg
Density: 1.707 · 1.707±0.06 g/cm3(Predicted)
Flash point: 148 °F · 148 °F
storage temp.: Inert atmosphere,Room Temperature
pka: 0.45 · 0.45±0.20(Predicted)
form: Low Melting Solid or Liquid
color: Colorless to white
InChI: InChI=1S/C5H3BrFN/c6-4-1-5(7)3-8-2-4/h1-3H
InChIKey: HNNNBQRRIHKFLI-UHFFFAOYSA-N
SMILES: C1=NC=C(F)C=C1Br
CAS DataBase Reference: 407 · 407-20-5(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H315-H318-H335
Precautionary statements: 280 · P280-P301+P312+P330-P302+P352-P305+P351+P338+P310
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xn,Xi,F
Risk Statements: 22 · 22-37/38-41-36/37/38-20/21/22-10
Safety Statements: 26 · 26-39-36-16
RIDADR: 2811 · UN2811
WGK Germany: 3 · 3
Hazard Note: Irritant
HazardClass: 6.1 · 6.1
HS Code: 29333990 · 29333990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (98%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+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 51 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (98%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
ridadr: UN2811
hs_code: 29333990
risk_code: 22-37/38-41-36/37/38-20/21/22-10
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: Xn,Xi,F
hazard_note: Irritant
safety_code: 26-39-36-16
hazard_class: 6.1
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H302-H315-H318-H335
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
Precautionary statements: P280-P301+P312+P330-P302+P352-P305+P351+P338+P310

Chemistry & industry

Applications

Uses3-Bromo-5-fluoropyridine reacts with silylformamidine to afford aminals[3]. It serves as a starting material for the synthesis of 3-(benzylthio)-5-bromopyridine[4].