Basic information
- CAS
272-97-9- Standard SMILES
c1cc2nc[nH]c2cn1- InChIKey
UBOOKRVGOBKDMM-UHFFFAOYSA-N- Molecular formula
- C6H5N3
- Average molar mass
- 119.12 g/mol
- Monoisotopic mass
- 119.04834717
Names & identifiers
- Preferred name
- 1H-Imidazo(4,5-c)pyridine
- IUPAC
- 3H-imidazo[4,5-c]pyridine
- English name
- 5-AZABENZIMIDAZOLE
- Molecular formula
- C6H5N3
- Molecular weight
- 119.12
Names & synonyms
5-Azabenzimidazole1H-Imidazo[4,5-c]pyridine1H-Imidazo(4,5-c)pyridineRefChem:4382251H-Imidazo4,5-cpyridine625-811-23H-Imidazo[4,5-c]pyridine272-97-9170245-15-53,5-DIAZAINDOLEMFCD00051808imidazo(4,5-c]pyridine
Show more names
5-AzabenziMidazole 97%5-Aza-1H-benzoimidazole5-Azabenzimidazole, 97%,7aH-imidazo[4,5-c]pyridine1H-Imidazo[4,5-c]pyridine (7CI, 8CI, 9CI)Imidazo/4,5-c/pyridine (5-Azabenzimidazole, 3-Deazapurine) and its derivatives
imidazo[4,5-c]pyridineImidazo[4,5-c]pyridine(6CI,9CI)5-Azabenzimidazole, 97%1H-imidazo[4,5-c]pyridin3H-imidazolo[4,5-c]pyridineSCHEMBL1927520CL3548AKOS009158089
Database identifiers
- CAS
272-97-9- PubChem CID
- 9227
- DTXSID
DTXSID60181667- ChEMBL
CHEMBL286232- EC Number
- 625-811-2
- Nikkaji
- J40.931F
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 104
Experimental & physicochemical properties
LogP0.18
Physicochemical properties
- Melting point
- 168 · 168-172 °C(lit.)
- Boiling point
- 200 · 200-220 °C(Press: 0.5 Torr)
- Density
- 1.348 · 1.348
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 11.15 · 11.15±0.30(Predicted)
- form
- Powder
- color
- Beige
- BRN
- 2601 · 2601
- InChI
- 1S/C6H5N3/c1-2-7-3-6-5(1)8-4-9-6/h1-4H,(H,8,9)
- InChIKey
- UBOOKRVGOBKDMM-UHFFFAOYSA-N
- SMILES
- c1cc2[nH]cnc2cn1
- CAS DataBase Reference
- 272 · 272-97-9(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
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
This chemical does not meet GHS hazard criteria for 2.4% (1 of 42) of reports.
Warning
H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information1H-Imidazo4,5-cpyridine: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (97.6%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29339980
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
Chemistry & industry
Applications
Uses5-Azabenzimidazole may be used in the preparation of ZIF-22 membrane (ZIF- Zeolitic imidazolate frameworks).
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers107 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Related reactions
12 records
Compound notes
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