Basic information
- CAS
55162-41-9- Standard SMILES
COC(=O)C(C)(C)Oc1ccc(Cl)cc1- InChIKey
UXIVINXAZVEIMC-UHFFFAOYSA-N- Molecular formula
- C11H13ClO3
- Average molar mass
- 228.67 g/mol
- Monoisotopic mass
- 228.055322
Names & identifiers
- Preferred name
- Methyl 2-(4-chlorophenoxy)-2-methylpropanoate
- IUPAC
- methyl 2-(4-chlorophenoxy)-2-methylpropanoate
- English name
- Methyl 2-(4-chlorophenoxy)-2-methylpropanoate
- Molecular formula
- C11H13ClO3
- Molecular weight
- 228.67
Names & synonyms
Methyl 2-(4-chlorophenoxy)-2-methylpropanoate55162-41-9MFCD00203861Methyl 2-(4-Chlorophenoxy)-2-methylpropionateCPIB methyl esterClofibrate Methyl EsterSCHEMBL21214522-(4-Chlorophenoxy)-2-methylpropanoic acid methyl esterDTXSID40203674UXIVINXAZVEIMC-UHFFFAOYSA-NPropanoic acid,2-(4-chlorophenoxy)-2-methyl-, methyl esterAKOS017259708
Show more names
Clofibrate-methyl ester2-(4-CHLOROPHENOXY)-2-METHYLPROPIONIC ACID METHYL ESTERPropanoic acid, 2-(4-chlorophenoxy)-2-methyl-, methyl ester
AS-8635CS-0331789methyl 2-(4-chlorophenoxy)-2-methyl-propanoateMethyl 2-(4-chlorophenoxy)-2-methylpropanoate #Methyl 2-(4-chlorophenoxy)-2-methylpropionate CRSMETHYL2-(4-CHLOROPHENOXY)-2-METHYLPROPANOATEPropionic acid, 2-(p-chlorophenoxy)-2-methyl-, methyl ester2-(4-Chlorophenoxy)-2-methylpropanoic acid methyl ester; 2-(p-Chlorophenoxy)-2-methylpropionic acid methyl ester (6CI,7CI)
Database identifiers
- CAS
55162-41-9- PubChem CID
- 41343
- DTXSID
DTXSID40203674- Nikkaji
- J104.735C
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 220
Physicochemical properties
- Boiling point
- 158 °C · 158 °C
- Density
- 1.173 · 1.173±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Major Application
- pharmaceutical (small molecule)
- InChI
- 1S/C11H13ClO3/c1-11(2,10(13)14-3)15-9-6-4-8(12)5-7-9/h4-7H,1-3H3
- InChIKey
- UXIVINXAZVEIMC-UHFFFAOYSA-N
- SMILES
- Clc1ccc(cc1)OC(C)(C)C(=O)OC
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H318-H335
- Precautionary statements
- 261 · P261-P264-P280-P301+P312-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- WGK Germany
- 3 · WGK 3
- HS Code
- 2916399090 · 2916399090
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- hs_code
- 2916399090
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H318-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesMethyl 2-(4-chlorophenoxy)-2-methylpropionate EP Reference standard, intended for use in laboratory tests only as specifically prescribed in the European Pharmacopoeia.
Suppliers7 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阳谷荣科商贸有限公司15863541132 · [email protected]
济南荣科药业有限公司18615606162 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…