Basic information
- CAS
6965-71-5- Standard SMILES
CC(Oc1cc(Cl)ccc1Cl)C(=O)O- InChIKey
LDRYOEIGQCIMEK-UHFFFAOYSA-N- Molecular formula
- C9H8Cl2O3
- Average molar mass
- 235.06 g/mol
- Monoisotopic mass
- 233.9850495
Names & identifiers
- Preferred name
- Propionic acid, 2-(2,5-dichlorophenoxy)-
- IUPAC
- 2-(2,5-dichlorophenoxy)propanoic acid
- English name
- 2-(2,5-dichlorophenoxy)propionic acid
- Molecular formula
- C9H8Cl2O3
- Molecular weight
- 235.06
Names & synonyms
2-(2,5-Dichlorophenoxy)propionic acidPropanoic acid, 2-(2,5-dichlorophenoxy)-EINECS 230-170-3NSC 63350Propionic acid, 2-(2,5-dichlorophenoxy)-RefChem:869655Propanoic acid, 2-(2,5-dichlorophenoxy)-(9CI)230-170-32-(2,5-dichlorophenoxy)propanoic acid6965-71-5alpha-(2,5-Dichlorophenoxy)propionic acidDTXSID5020441
Show more names
LR-77ALPHA-(2,5-DICHLOROPHENOXY)-PROPIONICACIDPropanoic acid, 2-(2,5-dichlorophenoxy)- (9ci)
MFCD00020405NSC633502-[(2,5-dichlorophenyl)oxy]propanoic acidWLN: QVY&OR BG EGNCIOpen2_002714DTXCID50441SCHEMBL1305946CHEMBL3183023
Database identifiers
- CAS
6965-71-5- PubChem CID
- 97971
- DTXSID
DTXSID5020441- ChEMBL
CHEMBL3183023- EC Number
- 230-170-3
- Nikkaji
- J35.367A
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 210
Physicochemical properties
- Melting point
- 137 · 137-138 °C(Solv: ethanol (64-17-5))
- Boiling point
- 335.78 °C · 335.78°C (rough estimate)
- Density
- 1.3965 · 1.3965 (rough estimate)
- refractive index
- 1.5 · 1.5000 (estimate)
- pka
- 3.01 · 3.01±0.10(Predicted)
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · 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]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers6 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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