Methyl 2-chloro-4-methylbenzoate

HCID 22019481

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 195318-63-9
Standard SMILES: COC(=O)c1ccc(C)cc1Cl
InChIKey: PJZFAIKANVMKKU-UHFFFAOYSA-N
Molecular formula: C9H9ClO2
Average molar mass: 184.62 g/mol
Monoisotopic mass: 184.02910721

Names & identifiers

Preferred name: Methyl 2-chloro-4-methylbenzoate
IUPAC: methyl 2-chloro-4-methylbenzoate
English name: Methyl 2-chloro-4-Methylbenzoate
Molecular formula: C9H9ClO2
Molecular weight: 184.62

Names & synonyms

Methyl 2-chloro-4-methylbenzoate195318-63-9DTXSID70621589RefChem:354188DTXCID50572343MFCD18398994Benzoic acid, 2-chloro-4-methyl-, methyl ester2-Chloro-4-methyl-benzoic acid methyl esterSCHEMBL335673Methyl2-chloro-4-methylbenzoateSCHEMBL16953946PJZFAIKANVMKKU-UHFFFAOYSA-N

Show more names

methyl 2-chloro-4-methyl-benzoateAKOS027323981AS-19616SY073921CS-0187470C90285F099557

Database identifiers

CAS: 195318-63-9
PubChem CID: 22019481
DTXSID: DTXSID70621589
Nikkaji: J3.381.773H

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 170

Physicochemical properties

Boiling point: 252 · 252.0±20.0 °C(Predicted)
Density: 1.186 · 1.186±0.06 g/cm3(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312+P330-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
HS Code: 2916399090 · 2916399090

Safety & regulation

Safety data

hs_code: 2916399090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P264-P270-P271-P280-P301+P312+P330-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501