3-Bromo-5-iodopyridine

HCID 820409

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Basic information

CAS: 233770-01-9
Standard SMILES: Brc1cncc(I)c1
InChIKey: AOOZLVWDZUPEHT-UHFFFAOYSA-N
Molecular formula: C5H3BrIN
Average molar mass: 283.89 g/mol
Monoisotopic mass: 282.8493592

Names & identifiers

Preferred name: 3-Bromo-5-iodopyridine
IUPAC: 3-bromo-5-iodopyridine
English name: 3-Bromo-5-iodo-pyridine
Molecular formula: C5H3BrIN
Molecular weight: 283.89

Names & synonyms

3-bromo-5-iodopyridine233770-01-9DTXSID50356206RefChem:277589DTXCID20307265625-265-53-Bromo-5-iodo-pyridinePyridine, 3-bromo-5-iodo-MFCD03086019SCHEMBL3203743-Bromo-5-iodopyridine, 95%AKOS005255449

Show more names

Zinc003367715-BROMO-3-IODOPYRIDINE3-Bromo-5-iodopyridine >C5H3BrIN 3-BROMO-5-IODOPYRIDINE3-Bromo-5-iodo-pyridine ISO 9001：2015 REACH

CS-W007831AB13102AC-6899BS-2044B4346AO-801/410774973-bromo-5-iodopyridine, Ambad160, 3-Bromo-5-iodo-pyridine, TL8001941, AO-801/41077497, 233770-01-9A4909

Database identifiers

CAS: 233770-01-9
PubChem CID: 820409
DTXSID: DTXSID50356206
EC Number: 625-265-5
Nikkaji: J1.688.876A

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 12.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 78.8

Physicochemical properties

Melting point: 127 · 127-131 °C
Boiling point: 266.5 · 266.5±25.0 °C(Predicted)
Density: 2.347 · 2.347±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 0.85 · 0.85±0.20(Predicted)
form: Solid
color: Off-white
Water Solubility: Slightly soluble in water.
Sensitive: Light Sensitive
InChI: InChI=1S/C5H3BrIN/c6-4-1-5(7)3-8-2-4/h1-3H
InChIKey: AOOZLVWDZUPEHT-UHFFFAOYSA-N
SMILES: C1=NC=C(I)C=C1Br
CAS DataBase Reference: 233770 · 233770-01-9(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H318
Precautionary statements: 280 · P280-P301+P312+P330-P305+P351+P338+P310
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-41-22
Safety Statements: 26 · 26-36/37/39
WGK Germany: 3 · 3
Hazard Note: Harmful
HazardClass: IRRITANT
HS Code: 2933399990 · 2933399990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Dam. 1

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (97.6%): 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 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.