CAS 153034-94-7 2-Fluoro-4-iodo-5-methylpyridine (HCID 10060052)

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Basic information

CAS: 153034-94-7
Standard SMILES: Cc1cnc(F)cc1I
InChIKey: BVKQLNXPPQEELX-UHFFFAOYSA-N
Molecular formula: C6H5FIN
Average molar mass: 237.01 g/mol
Monoisotopic mass: 236.94507538

Names & identifiers

Preferred name: 2-Fluoro-4-iodo-5-methylpyridine
IUPAC: 2-fluoro-4-iodo-5-methylpyridine
English name: 2-Fluoro-4-iodo-5-picoline
Molecular formula: C6H5FIN
Molecular weight: 237.01

Names & synonyms

2-Fluoro-4-iodo-5-methylpyridine153034-94-7DTXSID90434951RefChem:260924DTXCID90385777663-760-82-fluoro-4-iodo-5-picoline6-fluoro-4-iodo-b-picolineMFCD030952976-Fluoro-4-iodo-3-picolinePyridine, 2-fluoro-4-iodo-5-methyl-2-fluoro-4-iodo-5-methyl pyridine

Show more names

2-Fluoro-4-iodo-5-methylpyridine,95%2-Fluoro-4-iodo-5-methylpyridine, 98%2-Fluoro-4-iodo-5-methylpyridine≥ 99% (GC)2-Fluoro-4-iodo-5-picoline ISO 9001：2015 REACH2-FLUORO-4-IODO-5-PICOLINE (2-FLUORO-4-IODO-5-METHYLPYRIDINE)

SCHEMBL3632282-Fluor-4-iod-5-methylpyridinAKOS005258626CS-W019693GS-64702-Fluoro-4-iodo-5-methylpyridine, 97%SY022290F1035

Database identifiers

CAS: 153034-94-7
PubChem CID: 10060052
DTXSID: DTXSID90434951
EC Number: 663-760-8
Nikkaji: J566.212E

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: 40 · 40-45℃
Boiling point: 50 C · <50 C
Density: 1.892 · 1.892±0.06 g/cm3(Predicted)
Flash point: 110 °C · >110°C
storage temp.: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
solubility: soluble in Methanol
pka: -1.53 · -1.53±0.18(Predicted)
form: Solid
color: Off-white
Sensitive: Light Sensitive
InChI: InChI=1S/C6H5FIN/c1-4-3-9-6(7)2-5(4)8/h2-3H,1H3
InChIKey: BVKQLNXPPQEELX-UHFFFAOYSA-N
SMILES: C1(F)=NC=C(C)C(I)=C1
CAS DataBase Reference: 153034 · 153034-94-7(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (95.1%): 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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.