3-Bromoimidazo[1,2-a]pyridine
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Basic information
- CAS
4926-47-0- Standard SMILES
Brc1cnc2ccccn12- InChIKey
APYSHMNJHJRIDR-UHFFFAOYSA-N- Molecular formula
- C7H5BrN2
- Average molar mass
- 197.03 g/mol
- Monoisotopic mass
- 195.96361
Names & identifiers
- Preferred name
- 3-Bromoimidazo[1,2-a]pyridine
- IUPAC
- 3-bromoimidazo[1,2-a]pyridine
- English name
- 3-Bromoimidazo[1,2-a]pyridine
- Molecular formula
- C7H5BrN2
- Molecular weight
- 197.03
Names & synonyms
3-bromoimidazo[1,2-a]pyridine3-Bromoimidazo(1,2-A)PyridineDTXSID00316592RefChem:499348DTXCID80267715676-476-44926-47-03-bromo-imidazo[1,2-a]pyridineMFCD00014556IMIDAZO[1,2-A]PYRIDINE, 3-BROMO-NSC-30519798CRW686QQ
Show more names
NSC 305197BUTTPARK 96\50-113-Bromopyrimidazole3-Bromoimidazo[1,2-a]pyridine 97%3-Bromoimidazo[1,2-a]pyridine, 95+%Imidazo[1,2-a]pyridine, 3-bromo- (7CI,8CI,9CI)
3-bromoH-imidazo[1,2-a]pyridineNSC305197Imidazo(1,2-a)pyridine, 3-bromo-UNII-98CRW6UNII-98CRW686QQSCHEMBL102383-Bromoimidazo[1,2]-pyridineSCHEMBL10540172
Database identifiers
- CAS
4926-47-0- PubChem CID
- 327951
- DTXSID
DTXSID00316592- UNII
- 98CRW686QQ
- EC Number
- 676-476-4
- Nikkaji
- J308.118D
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 17.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 129
Physicochemical properties
- Melting point
- 92 °C · 92 °C
- Density
- 1.69 · 1.69±0.1 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- form
- solid
- pka
- 3.85 · 3.85±0.50(Predicted)
- Appearance
- Light yellow to brown Solid
- InChI
- 1S/C7H5BrN2/c8-6-5-9-7-3-1-2-4-10(6)7/h1-5H
- InChIKey
- APYSHMNJHJRIDR-UHFFFAOYSA-N
- SMILES
- Brc1cnc2ccccn12
- CAS DataBase Reference
- 4926 · 4926-47-0(CAS DataBase Reference)
- FDA UNII
- 98 CRW686QQ · 98CRW686QQ
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (88.9%): 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 45 reports by companies from 5 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 (88.9%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Safety data
- wgk
- WGK 2
- hs_code
- 2933399990
- risk_code
- 20/21/22-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- T,Xi,Xn
- safety_code
- 22-36/37/39
- hazard_class
- IRRITANT
Chemistry & industry
Applications
Uses3-Bromoimidazo[1,2-a]pyridine is an azaheterocyclic compound containing a bromine atom in its molecular structure, which can be used in electrophilic substitution reactions to prepare other organic products.
Upstream & downstream products
Downstream products
Suppliers
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Related reactions
13 records
Compound notes
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