Basic information
- CAS
1554086-60-0- Standard SMILES
O=C(O)c1cc2ccnc(Cl)c2o1- InChIKey
JHBHQTBXBCUDOG-UHFFFAOYSA-N- Molecular formula
- C8H4ClNO3
- Average molar mass
- 197.57 g/mol
- Monoisotopic mass
- 196.9879707
Names & identifiers
- Preferred name
- 7-Chlorofuro(2,3-c)pyridine-2-carboxylic acid
- IUPAC
- 7-chlorofuro[2,3-c]pyridine-2-carboxylic acid
- English name
- 7-Chloro-furo[2,3-c]pyridine-2-carboxylic acid
- Molecular formula
- C8H4ClNO3
- Molecular weight
- 197.58
Names & synonyms
7-chlorofuro[2,3-c]pyridine-2-carboxylic acid1554086-60-07-Chlorofuro(2,3-c)pyridine-2-carboxylic acidRefChem:546259966-827-27-chlorofuro[2,3-c]pyridine-2-carboxylicacidEN300-67665037-Chloro-furo[2,3-c]pyridine-2-carboxylic acidFuro[2,3-c]pyridine-2-carboxylic acid, 7-chloro-
Database identifiers
- CAS
1554086-60-0- PubChem CID
- 84014752
- EC Number
- 966-827-2
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 223
Physicochemical properties
- Boiling point
- 389.398 · 389.398±37.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.593 · 1.593±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 2.477 · 2.477±0.30(predicted)
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%)
Chemistry & industry
Suppliers3 total
西安速加医药科技有限公司029-86115547 17791676824 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Cochemical Co. Ltd.+86-029-86115547 +86-17791676824 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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