CAS 831203-13-5 5-Bromo-2-chloro-3-fluoropyridine (HCID 2763285)

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Basic information

CAS: 831203-13-5
Standard SMILES: Fc1cc(Br)cnc1Cl
InChIKey: OEKXUEWGXWCENG-UHFFFAOYSA-N
Molecular formula: C5H2BrClFN
Average molar mass: 210.43 g/mol
Monoisotopic mass: 208.90432

Names & identifiers

Preferred name: 5-Bromo-2-chloro-3-fluoropyridine
IUPAC: 5-bromo-2-chloro-3-fluoropyridine
English name: 5-Bromo-2-chloro-3-fluoropyridine
Molecular formula: C5H2BrClFN
Molecular weight: 210.43

Names & synonyms

5-Bromo-2-chloro-3-fluoropyridine831203-13-5DTXSID80376871RefChem:102111DTXCID90327899672-941-05-BROMO-2-CHLORO-3-FLUORO-PYRIDINEC5H2BrClFNMFCD03411574Pyridine, 5-bromo-2-chloro-3-fluoro-CS-D0950AB14161

Show more names

7-aminonicotinic acid5-Bromo-2-chloro-3-fluoropyridin3-BroMo-6-chloro-5-fluoropyridine5-Bromo-2-chloro-3-fluoropylidinePyridine,5-broMo-2-chloro-3-fluoro-2 - chloro 5 - bromo 3 - fluoro pyridine5-Bromo-2-chloro-3-fluoropyridine ISO 9001：2015 REACH

AC-4377GS-69045-Bromo-2-chloro-3-fluoropyridine, AldrichCPRA1-534132-CHLORO-3-FLUORO-5-BROMOPYRIDINEN-Benzylbenzo[d]isothiazolSCHEMBL16392OEKXUEWGXWCENG-UHFFFAOYSA-N

Database identifiers

CAS: 831203-13-5
PubChem CID: 2763285
DTXSID: DTXSID80376871
EC Number: 672-941-0

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 12.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 103

Physicochemical properties

Melting point: 50 · 50-52℃
Boiling point: 195.3 · 195.3±35.0 °C(Predicted)
Density: 1.829 · 1.829±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: -2.44 · -2.44±0.10(Predicted)
form: Solid
color: White
CAS DataBase Reference: 831203 · 831203-13-5(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi,Xn
Risk Statements: 22 · 22-37/38-41
Safety Statements: 26 · 26-39
HazardClass: IRRITANT

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (42.9%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (14.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (85.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (85.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (14.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (71.4%): 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 7 reports by companies from 6 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 (42.9%)；Skin Irrit. 2 (85.7%)；Eye Irrit. 2 (85.7%)；STOT SE 3 (71.4%)

Safety data

hs_code: 2933399990
risk_code: 22-37/38-41
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn
safety_code: 26-39
hazard_class: IRRITANT
Hazard statements: H315-H319-H335

Chemistry & industry

Applications

Uses5-Bromo-2-chloro-3-fluoropyridine is an important organic chemical with a high reactivity that can be used in chemoselective amination reactions. It is also used as a pharmaceutical intermediate.