Basic information
- CAS
938118-64-0- Standard SMILES
O=C(O)CCOc1cc(Cl)cc(Cl)c1- InChIKey
KCXNBTVQFJREHK-UHFFFAOYSA-N- Molecular formula
- C9H8Cl2O3
- Average molar mass
- 235.06 g/mol
- Monoisotopic mass
- 233.9850495
Names & identifiers
- Preferred name
- 3-(3,5-Dichlorophenoxy)propanoic acid
- IUPAC
- 3-(3,5-dichlorophenoxy)propanoic acid
- English name
- 3-(3,5-dichlorophenoxy)propanoic acid
- Molecular formula
- C9H8Cl2O3
- Molecular weight
- 235.06
Names & synonyms
3-(3,5-dichlorophenoxy)propanoic acid938118-64-0RefChem:491494860-228-9NMB11864MFCD097047983-(3,5-dichlorophenoxy)propanoicacidAKOS008136953SY196443EN300-95235G42469Z441805208
Show more names
Propanoic acid, 3-(3,5-dichlorophenoxy)-
Database identifiers
- CAS
938118-64-0- PubChem CID
- 20985404
- EC Number
- 860-228-9
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 188
Physicochemical properties
- Boiling point
- 341.1 · 341.1±27.0 °C(Predicted)
- Density
- 1.424 · 1.424±0.06 g/cm3(Predicted)
- pka
- 4.11 · 4.11±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335-H302
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
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 2 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335-H302
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers1 total
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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