2-(4-Bromophenyl)-6-methylimidazo[1,2-a]pyridine

HCID 837893

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Basic information

CAS: 1023-01-4
Standard SMILES: Cc1ccc2nc(-c3ccc(Br)cc3)cn2c1
InChIKey: OUTIKDPVXLJCLK-UHFFFAOYSA-N
Molecular formula: C14H11BrN2
Average molar mass: 287.15 g/mol
Monoisotopic mass: 286.01056

Names & identifiers

Preferred name: 2-(4-Bromophenyl)-6-methylimidazo[1,2-a]pyridine
IUPAC: 2-(4-bromophenyl)-6-methylimidazo[1,2-a]pyridine
English name: 2-(4-Bromophenyl)-6-methylimidazo(1,2-a&
Molecular formula: C14H11BrN2
Molecular weight: 287.15

Names & synonyms

2-(4-Bromophenyl)-6-methylimidazo[1,2-a]pyridineDTXSID403569322-(4-Bromophenyl)-6-methylimidazo(1,2-a)pyridineRefChem:457097DTXCID10307991622-470-11023-01-4MFCD00444784Imidazo[1,2-a]pyridine, 2-(4-bromophenyl)-6-methyl-CHEMBL78765MLS001203476BDBM50122788

Show more names

2-(4-Bromophenyl)-6-methylimidazo[1,2-aa]pyridineJR-6930, 2-(4-Bromophenyl)-6-methylH-imidazo[1,2-a]pyridine, 97%

2-(4-Bromo-phenyl)-6-methyl-imidazo[1,2-a]pyridine2-(4-Bromophenyl)-6-methylH-imidazo[1,2-a]pyridineAS-68952F1018-04032-(4-bromo-phenyl)-6-methyl-imidazo [1,2-a] pyridineOprea1_68BAS 00600998Oprea1_232242

Database identifiers

CAS: 1023-01-4
PubChem CID: 837893
DTXSID: DTXSID40356932
ChEMBL: CHEMBL78765
EC Number: 622-470-1
Nikkaji: J2.170.159I

Properties

Computed structural properties

XLogP: 4.5
Topological polar surface area: 17.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 17
Formal charge: 0
Complexity: 263

Experimental & physicochemical properties

Solubility<0.3 [ug/mL] (The mean of the results at pH 7.4)

Physicochemical properties

Melting point: 214 · 214-218 °C
Density: 1.43 · 1.43±0.1 g/cm3(Predicted)
storage temp.: Store at room temperature
pka: 6.78 · 6.78±0.50(Predicted)
form: solid
Appearance: Light yellow to yellow Solid
InChI: 1S/C14H11BrN2/c1-10-2-7-14-16-13(9-17(14)8-10)11-3-5-12(15)6-4-11/h2-9H,1H3
InChIKey: OUTIKDPVXLJCLK-UHFFFAOYSA-N
SMILES: Cc1ccc2nc(cn2c1)-c3ccc(Br)cc3
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Hazard Codes: Xn
Risk Statements: 22 · 22-36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

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]；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, 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 43 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.