5-Fluoro-2-methylpyridine

HCID 2762863

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Basic information

CAS: 31181-53-0
Standard SMILES: Cc1ccc(F)cn1
InChIKey: LXAHHHIGZXPRKQ-UHFFFAOYSA-N
Molecular formula: C6H6FN
Average molar mass: 111.12 g/mol
Monoisotopic mass: 111.04842736

Names & identifiers

Preferred name: 5-Fluoro-2-methylpyridine
IUPAC: 5-fluoro-2-methylpyridine
English name: 5-Fluoro-2-methylpyridine
Molecular formula: C6H6FN
Molecular weight: 111.12

Names & synonyms

5-fluoro-2-methylpyridine31181-53-0DTXSID10376521RefChem:303169DTXCID20327549814-475-45-fluoro-2-picoline3-Fluoro-6-picolineMFCD030952715-fluoro-2-methyl-pyridine3-fluoro-6-methylpyridinePYRIDINE, 5-FLUORO-2-METHYL-

Show more names

3-Fluoro-6-picoline 98%2-methyl-5-fluoro-pyridine5-Fluoro-2-methylpyridine 98+%5-Fluoro-2-methylpyridine, 97%5-FLUORO-2-PICOLINE5-FLUORO-2-METHYLPYRIDINE

5-Fluoro -2-picolineSCHEMBL424656SCHEMBL754139SCHEMBL932697SCHEMBL1439318SCHEMBL16114306SCHEMBL22978495SCHEMBL29918724

Database identifiers

CAS: 31181-53-0
PubChem CID: 2762863
DTXSID: DTXSID10376521
EC Number: 814-475-4

Properties

Computed structural properties

XLogP: 1.3
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: 74

Physicochemical properties

Boiling point: 135 · 135-136 C
Density: 1.077 g/ml · 1.077g/ml
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: liquid
pka: 3.53 · 3.53±0.10(Predicted)
color: Clear, almost colourless
InChI: InChI=1S/C6H6FN/c1-5-2-3-6(7)4-8-5/h2-4H,1H3
InChIKey: LXAHHHIGZXPRKQ-UHFFFAOYSA-N
SMILES: C1(C)=NC=C(F)C=C1
CAS DataBase Reference: 31181 · 31181-53-0(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 227 · H227-H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: T,Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
HazardClass: IRRITANT
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): 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 2 reports by companies from 2 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.