3-(2-Chlorophenoxy)propionic acid
Basic information
- CAS
7170-45-8- Standard SMILES
O=C(O)CCOc1ccccc1Cl- InChIKey
UZFYWLRSVDZCSF-UHFFFAOYSA-N- Molecular formula
- C9H9ClO3
- Average molar mass
- 200.62 g/mol
- Monoisotopic mass
- 200.0240218
Names & identifiers
- Preferred name
- 3-(2-Chlorophenoxy)propionic acid
- IUPAC
- 3-(2-chlorophenoxy)propanoic acid
- English name
- 3-(2-chlorophenoxy)propionic acid
- Molecular formula
- C9H9ClO3
- Molecular weight
- 200.62
Names & synonyms
3-(2-Chlorophenoxy)propionic acidEINECS 230-521-0DTXSID30221923NSC 40780RefChem:490897DTXCID60144414230-521-03-(2-chlorophenoxy)propanoic acid7170-45-8MFCD02295728NSC-40780Propanoic acid, 3-(2-chlorophenoxy)-
Show more names
3-(2-Chlorophenoxy)
NSC40780HX5S7BP6XLSCHEMBL5787193-(2-chlorophenoxy)propanoicacid3-2-Chloro-phenoxy-propionic acidHAA17045AKOS000127612AS-61444
Database identifiers
- CAS
7170-45-8- PubChem CID
- 81598
- DTXSID
DTXSID30221923- UNII
- HX5S7BP6XL
- EC Number
- 230-521-0
- Nikkaji
- J227.421C
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 172
Physicochemical properties
- Melting point
- 108 · 108-109 °C
- Boiling point
- 305.6 · 305.6±17.0 °C(Predicted)
- Density
- 1.311 · 1.311±0.06 g/cm3(Predicted)
- pka
- 4.16 · 4.16±0.10(Predicted)
- FDA UNII
- 5 S7BP6XL · HX5S7BP6XL
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
- HS Code
- 2918999090 · 2918999090
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
H315 (100%): 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2918999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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