Methyl (4-chlorophenoxy)acetate
Basic information
- CAS
4841-22-9- Standard SMILES
COC(=O)COc1ccc(Cl)cc1- InChIKey
OSGZHKYFZSNKRI-UHFFFAOYSA-N- Molecular formula
- C9H9ClO3
- Average molar mass
- 200.62 g/mol
- Monoisotopic mass
- 200.0240218
Names & identifiers
- Preferred name
- Methyl (4-chlorophenoxy)acetate
- IUPAC
- methyl 2-(4-chlorophenoxy)acetate
- English name
- p-Chlorophenoxyacetic acid methyl ester
- Molecular formula
- C9H9ClO3
- Molecular weight
- 200.62
Names & synonyms
4841-22-9methyl (4-chlorophenoxy)acetateWP8NSQ7VCCNSC-65093DTXSID20197522RefChem:1089201DTXCID80120013methyl 2-(4-chlorophenoxy)acetateP-CHLOROPHENOXYACETIC ACID METHYL ESTERMFCD00063317CCRIS 3489methyl p-chlorophenoxyacetate
Show more names
2-(4-Chlorophenoxy)acetic acid methyl esterAcetic acid, (4-chlorophenoxy)-, Methyl ester
NSC 65093Acetic acid, 2-(4-chlorophenoxy)-, methyl ester4-CHLORO METHYLPHENOXYACETATEUNII-WP8NSQ7VCCMeclofenoxate Impurity 2NCIOpen2_003008methyl 4-chlorophenoxyacetateMethyl (p-chlorophenoxy)acetate
Database identifiers
- CAS
4841-22-9- PubChem CID
- 96277
- DTXSID
DTXSID20197522- UNII
- WP8NSQ7VCC
- Nikkaji
- J40.695C
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 164
Physicochemical properties
- Melting point
- 35 · 35-37 °C(Solv: methanol (67-56-1))
- Boiling point
- 125 °C · 125 °C(Press: 10 Torr)
- Density
- 1.239 · 1.239±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- Appearance
- White to light yellow Solid
- FDA UNII
- 8 NSQ7VCC · WP8NSQ7VCC
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
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
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
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Compound notes
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