CAS 153034-78-7 2-Fluoro-3-iodo-5-methylpyridine (HCID 10243220)

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Basic information

CAS: 153034-78-7
Standard SMILES: Cc1cnc(F)c(I)c1
InChIKey: ANOOZLFFCNANTR-UHFFFAOYSA-N
Molecular formula: C6H5FIN
Average molar mass: 237.01 g/mol
Monoisotopic mass: 236.94507538

Names & identifiers

Preferred name: 2-Fluoro-3-iodo-5-methylpyridine
IUPAC: 2-fluoro-3-iodo-5-methylpyridine
English name: 2-Fluoro-3-iodo-5-methylpyridine
Molecular formula: C6H5FIN
Molecular weight: 237.01

Names & synonyms

2-Fluoro-3-iodo-5-methylpyridine153034-78-7DTXSID30437229RefChem:260863DTXCID60388053663-768-12-Fluoro-3-iodo-5-picolineMFCD03095303Pyridine, 2-fluoro-3-iodo-5-methyl-SCHEMBL622619ANOOZLFFCNANTR-UHFFFAOYSA-NSBB054399

Show more names

CAS:153034-78-7uoro-3-iodo-5-methyL2-Fluoro-3-iodo-5-picolin2,5-difluoro-3-iodopyridine2-fluoro-3-iodo-5-fluoropyridine2-Fluoro-3-iodo-5-methylpyridine ISO 9001：2015 REACH2-FLUORO-3-IODO-5-PICOLINE (2-FLUORO-3-IODO-5-METHYLPYRIDINE)

AKOS008901113DS-0826PS-76302-fluoro-3-iodo-5-methylpyridine, 95%AC-33390SY022310DB-024999CS-0007510

Database identifiers

CAS: 153034-78-7
PubChem CID: 10243220
DTXSID: DTXSID30437229
EC Number: 663-768-1
Nikkaji: J566.207I

Properties

Computed structural properties

XLogP: 2.3
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: 99.1

Physicochemical properties

Melting point: 38 · 38-42°C
Boiling point: 252.5 · 252.5±35.0 °C(Predicted)
Density: 1.892 · 1.892±0.06 g/cm3(Predicted)
Flash point: 110 ℃ · >110℃
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
form: solid
pka: -2.16 · -2.16±0.20(Predicted)
Appearance: Off-white to yellow Solid
InChI: 1S/C6H5FIN/c1-4-2-5(8)6(7)9-3-4/h2-3H,1H3
InChIKey: ANOOZLFFCNANTR-UHFFFAOYSA-N
SMILES: Cc1cnc(F)c(I)c1
CAS DataBase Reference: 153034 · 153034-78-7(CAS DataBase Reference)
UNSPSC Code: 12352200 · 12352200
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

wgk: 3
hs_code: 2933399990
risk_code: 36/37/38-36-41-22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: T,Xi
safety_code: 26-36-39
Storage Class: 11 - Combustible Solids
Hazard statements: H302-H319
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1
Precautionary statements: P305+P351+P338

Chemistry & industry

Applications

Uses2-Fluoro-3-iodo-5-methylpyridine is a tri-substituted pyridine used in the preparation of biologically active compounds such as protein kinase inhibitors.