Basic information
- CAS
40851-98-7- Standard SMILES
O=c1[nH]c2ccc(Cl)nc2[nH]1- InChIKey
XJFIKRXIJXAJGH-UHFFFAOYSA-N- Molecular formula
- C6H4ClN3O
- Average molar mass
- 169.57 g/mol
- Monoisotopic mass
- 169.0042895
Names & identifiers
- Preferred name
- 5-chloro-1H,2H,3H-imidazo(4,5-b)pyridin-2-one
- IUPAC
- 5-chloro-1,3-dihydroimidazo[4,5-b]pyridin-2-one
- English name
- 5-Chloro-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one
- Molecular formula
- C6H4ClN3O
- Molecular weight
- 169.57
Names & synonyms
5-CHLORO-1,3-DIHYDRO-2H-IMIDAZO[4,5-B]PYRIDIN-2-ONE5-CHLORO-1H,2H,3H-IMIDAZO[4,5-B]PYRIDIN-2-ONE5-chloro-1H,2H,3H-imidazo(4,5-b)pyridin-2-one5-Chloro-1,3-dihydro-2H-imidazo(4,5-b)pyridin-2-oneRefChem:534308895-659-15-Chloro-1H-imidazo[4,5-b]pyridin-2(3H)-one40851-98-7MFCD066596885-chloro-1,3-dihydroimidazo[4,5-b]pyridin-2-oneSCHEMBL2299823CHLORPYRIFOSMETHYL
Show more names
5-chloro-3H-imidazo[4,5-b]pyridin-2-ol5-Chloro-1H-imidazo[4,5-b]pyridin-2(3H)5-chloro-1H-imidazole[4,5-b]pyridine-2(3H)-one5-Chloro-1,3-dihydro-iMidazo[4,5-b]pyridin-2-one2H-Imidazo[4,5-b]pyridin-2-one, 5-chloro-1,3-dihydro-
SCHEMBL5786187CHEMBL1797921DTXSID80608962CS-D0025SC1241AKOS006293630AB26090AS-54585
Database identifiers
- CAS
40851-98-7
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 187
Physicochemical properties
- Density
- 1.82 · 1.82
- storage temp.
- 2 · 2-8°C
- form
- solid
- pka
- 7 · 7.00±0.40(Predicted)
- Appearance
- Light brown to brown Solid
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers44 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
南京翔睿科技有限公司021-021-00000000 15715199582 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
Aladdin Scientific[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
南京环合生物科技有限公司18605270162 · [email protected]
苏州迪飞医药科技有限公司18651107528 18651107528 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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