Dimethyl 1-(2-chloroethyl)cyclohexane-1,4-dicarboxylate
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Basic information
- CAS
106004-06-2- Standard SMILES
COC(=O)C1CCC(CCCl)(C(=O)OC)CC1- InChIKey
ONBAUDQPYATDMN-UHFFFAOYSA-N- Molecular formula
- C12H19ClO4
- Average molar mass
- 262.73 g/mol
- Monoisotopic mass
- 262.0971868
Names & identifiers
- Preferred name
- Dimethyl 1-(2-chloroethyl)cyclohexane-1,4-dicarboxylate
- IUPAC
- dimethyl 1-(2-chloroethyl)cyclohexane-1,4-dicarboxylate
- English name
- 1-(2-CHLOROETHYL)CYCLOHEXANE-1,4-DICARBOXYLIC ACID DIMETHYL ESTER
- Molecular formula
- C12H19ClO4
- Molecular weight
- 262.73
Names & synonyms
dimethyl 1-(2-chloroethyl)cyclohexane-1,4-dicarboxylate106004-06-23028133-32-31,4-dimethyl (1r,4r)-1-(2-chloroethyl)cyclohexane-1,4-dicarboxylateSCHEMBL2824808Dimethyl1-(2-chloroethyl)cyclohexane-1,4-dicarboxylateDTXSID60545503ONBAUDQPYATDMN-UHFFFAOYSA-NGEA004061-(2-CHLOROETHYL)CYCLOHEXANE-1,4-DICARBOXYLIC ACID DIMETHYL ESTERAKOS015910733DB-353855
Show more names
1,4-Cyclohexanedicarboxylic acid, 1-(2-chloroethyl)-, 1,4-diMethyl ester
F18683
Database identifiers
- CAS
106004-06-2、3028133-32-3- PubChem CID
- 13633965
- DTXSID
DTXSID60545503- EC Number
- 176-686-1
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 282
Physicochemical properties
- storage temp.
- 2 · 2-8°C
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
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+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%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)
Suppliers
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Related reactions
4 records
Compound notes
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