CAS 148639-07-0 2-Chloro-3-fluoro-4-iodopyridine (HCID 11065087)

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Basic information

CAS: 148639-07-0
Standard SMILES: Fc1c(I)ccnc1Cl
InChIKey: GONULLRFSHKLBS-UHFFFAOYSA-N
Molecular formula: C5H2ClFIN
Average molar mass: 257.43 g/mol
Monoisotopic mass: 256.89045

Names & identifiers

Preferred name: 2-Chloro-3-fluoro-4-iodopyridine
IUPAC: 2-chloro-3-fluoro-4-iodopyridine
English name: 2-Chloro-3-fluoro-4-iodopyridine
Molecular formula: C5H2ClFIN
Molecular weight: 257.43

Names & synonyms

2-Chloro-3-fluoro-4-iodopyridine148639-07-0DTXSID40453955RefChem:258527DTXCID30404774821-637-8Pyridine, 2-chloro-3-fluoro-4-iodo-MFCD04972389SCHEMBL792915AKOS005259352DS-1498AC-33397

Show more names

2-Chloro-3-fluoro-4-iodopyridine 95+%2-CHLORO-3-FLUORO-4-IODOPYRIDINE ISO 9001：2015 REACH

SY022337C33752-chloro-3-fluoro-4-iodo-pyridineAM62433FT-06500312-Chloro-3-fluoro-4-iodoporb3181324SCHEMBL30340481

Database identifiers

CAS: 148639-07-0
PubChem CID: 11065087
DTXSID: DTXSID40453955
EC Number: 821-637-8

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: 97 °C · 97 °C
Boiling point: 246.1 · 246.1±35.0 °C(Predicted)
Density: 2.129 · 2.129±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: soluble in Methanol
form: powder to crystal
pka: -0.22 · -0.22±0.10(Predicted)
color: White to Light yellow to Light orange
InChI: InChI=1S/C5H2ClFIN/c6-5-4(7)3(8)1-2-9-5/h1-2H
InChIKey: GONULLRFSHKLBS-UHFFFAOYSA-N
SMILES: C1(Cl)=NC=CC(I)=C1F
CAS DataBase Reference: 148639 · 148639-07-0(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302+H312+H332 (93.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H302 (96.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (96.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (96.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (96.7%): 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 30 reports by companies from 3 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 (96.7%)；Acute Tox. 4 (96.7%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (96.7%)；STOT SE 3 (96.7%)

Safety data

hs_code: 2933399990
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Chemistry & industry

Applications

Uses2-Chloro-3-fluoro-4-iodopyridine is a polyhalogenated compound with a wide uses. It is a crucial compound that could be used as a pharmaceutical intermediate in pharmaceutical synthesis and scientific research.