5-Chloro-6-fluoropyridine-3-carboxylic acid
Basic information
- CAS
38185-57-8- Standard SMILES
O=C(O)c1cnc(F)c(Cl)c1- InChIKey
NHESJWPBKSDWPD-UHFFFAOYSA-N- Molecular formula
- C6H3ClFNO2
- Average molar mass
- 175.54 g/mol
- Monoisotopic mass
- 174.9836342
Names & identifiers
- Preferred name
- 5-Chloro-6-fluoropyridine-3-carboxylic acid
- IUPAC
- 5-chloro-6-fluoropyridine-3-carboxylic acid
- English name
- 5-chloro-6-fluoronicotinic acid
- Molecular formula
- C6H3ClFNO2
- Molecular weight
- 175.54
Names & synonyms
5-chloro-6-fluoropyridine-3-carboxylic acidRefChem:534846840-215-45-chloro-6-fluoronicotinic acid38185-57-8C6H3ClFNO2MFCD034269233-Chloro-2-fluoropyridine-5-carboxylic acid4922AB5-chloro-6-fluoro-pyridine-3-carboxylic Acid5-CHLORO-6-FLUORO-3-PYRIDINECARBOXYLIC ACIDSCHEMBL8341810
Show more names
5-chloro-6-fluoropyridine-3-carboxylicaci3-Pyridinecarboxylic acid, 5-chloro-6-fluoro-5-chloro-6-fluoronicotinic acid ISO 9001：2015 REACH
DTXSID00394875NHESJWPBKSDWPD-UHFFFAOYSA-NNBA18557SBB089092AKOS005255571AB15015MS-20637SY211587
Database identifiers
- CAS
38185-57-8- PubChem CID
- 3671579
- DTXSID
DTXSID00394875- EC Number
- 840-215-4
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 167
Physicochemical properties
- Boiling point
- 322.5 · 322.5±37.0 °C(Predicted)
- Density
- 1.576 · 1.576±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 3.04 · 3.04±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HazardClass
- IRRITANT
- HS Code
- 2933399990 · 2933399990
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)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Suppliers
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Related reactions
1 records
Compound notes
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