3-(2-Chloro-6-fluorophenyl)propanoic acid
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Basic information
- CAS
88740-77-6- Standard SMILES
O=C(O)CCc1c(F)cccc1Cl- InChIKey
IJIZOJZUZZTIDJ-UHFFFAOYSA-N- Molecular formula
- C9H8ClFO2
- Average molar mass
- 202.61 g/mol
- Monoisotopic mass
- 202.0196853
Names & identifiers
- Preferred name
- 3-(2-Chloro-6-fluorophenyl)propanoic acid
- IUPAC
- 3-(2-chloro-6-fluorophenyl)propanoic acid
- English name
- 3-(2-CHLORO-6-FLUOROPHENYL)PROPIONIC ACID
- Molecular formula
- C9H8ClFO2
- Molecular weight
- 202.61
Names & synonyms
3-(2-chloro-6-fluorophenyl)propanoic acid88740-77-6DTXSID90429342RefChem:273613DTXCID40380176691-916-5MFCD066603313-(2-Chloro-6-fluorophenyl)propionic acid3-(2-Chloro-6-fluorophenyl)propanoicacidF9995-09403-(2-chloro-6-fluoro-phenyl)propanoic AcidSCHEMBL11139559
Show more names
2-Chloro-6-fluorobenzenepropanoic acidBenzenepropanoic acid, 2-chloro-6-fluoro-
SMSSF-0617208AKOS000166992SY3033943-(6-chloro-2-fluorophenyl)propanoic acidDB-330611ST45243706EN300-265832G82410
Database identifiers
- CAS
88740-77-6- PubChem CID
- 9149705
- DTXSID
DTXSID90429342- EC Number
- 691-916-5
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 186
Physicochemical properties
- Melting point
- 59 · 59-63℃
- Boiling point
- 300.7 · 300.7±27.0 °C(Predicted)
- Density
- 1.354 · 1.354±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 4.6 · 4.60±0.10(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
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 (20%): 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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (20%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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