2-(2,6-Dichlorophenyl)cyclopropane-1-carboxylic acid
Basic information
- CAS
1157698-73-1- Standard SMILES
O=C(O)C1CC1c1c(Cl)cccc1Cl- InChIKey
UJOYJHSCWRJSST-UHFFFAOYSA-N- Molecular formula
- C10H8Cl2O2
- Average molar mass
- 231.07 g/mol
- Monoisotopic mass
- 229.9901349
Names & identifiers
- Preferred name
- 2-(2,6-Dichlorophenyl)cyclopropane-1-carboxylic acid
- IUPAC
- 2-(2,6-dichlorophenyl)cyclopropane-1-carboxylic acid
- English name
- 1-Carboxy-2-(2,6-dichlorophenyl)cyclopropane, 2-(2-Carboxycycloprop-1-yl)-1,3-dichlorobenzene
- Molecular formula
- C10H8Cl2O2
- Molecular weight
- 231.08
Names & synonyms
1157698-73-12-(2,6-Dichlorophenyl)cyclopropane-1-carboxylic acidRefChem:452158828-669-12-(2,6-Dichlorophenyl)cyclopropanecarboxylic acidSCHEMBL15938458AKOS009997087PS-7709EN300-878662-(2,6-Dichlorophenyl)cyclopropanecarboxylicacidZ450468504Cyclopropanecarboxylic acid, 2-(2,6-dichlorophenyl)-
Show more names
1-Carboxy-2-(2,6-dichlorophenyl)cyclopropane, 2-(2-Carboxycycloprop-1-yl)-1,3-dichlorobenzene
Database identifiers
- CAS
1157698-73-1- PubChem CID
- 43810312
- EC Number
- 828-669-1
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 234
Physicochemical properties
- Boiling point
- 338.5 · 338.5±42.0 °C(Predicted)
- Density
- 1.504 · 1.504±0.06 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- 4.2 · 4.20±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 280 · P280-P304+P340-P305+P351+P338
- HS Code
- 2916200090 · 2916200090
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
H303 (100%): May be harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P271, P280, P301+P317, 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 CategoriesAcute Tox. 5 (100%)
Safety data
- hs_code
- 2916200090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P280-P304+P340-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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