CAS 33924-48-0 Methyl 5-chloro-2-methoxybenzoate (HCID 118574)

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Basic information

CAS: 33924-48-0
Standard SMILES: COC(=O)c1cc(Cl)ccc1OC
InChIKey: HPTHYBXMNNGQEF-UHFFFAOYSA-N
Molecular formula: C9H9ClO3
Average molar mass: 200.62 g/mol
Monoisotopic mass: 200.02402183

Names & identifiers

Preferred name: Methyl 5-chloro-2-methoxybenzoate
IUPAC: methyl 5-chloro-2-methoxybenzoate
English name: Methyl 5-chloro-2-methoxybenzoate
Molecular formula: C9H9ClO3
Molecular weight: 200.62

Names & synonyms

Methyl 5-chloro-2-methoxybenzoateBenzoic acid, 5-chloro-2-methoxy-, methyl esterEINECS 251-743-4RefChem:817004251-743-433924-48-0Methyl 5-Chloro-o-anisate4-Chloro-2-(methoxycarbonyl)anisole5-Chloro-2-methoxybenzoic acid methyl esterDTXSID8057720MFCD00017511Methyl 5-choro-2-methoxybenzoate

Show more names

Methyl-5-chlor-2-methoxybenzoatMethhyl 5-Chloro-2-methoxybenzoateMETHYL(2-METHOXY-5-CHLORO) BENZOATEMethyl 5-chloro-2-methoxybenzoate,99%Methyl 5-Chloro-2-methoxybenzoate >

Methyl-5-chloro-2-methoxybenzoateDTXCID5031509methyl 5-chloro-2-methoxy-benzoateSR-01000944765SR-01000944765-15-Chloro-2-methoxy-benzoicAcidMethylEster-13C2,d65-Chloro-o-anisic Acid Methyl Ester5-chloro-2-methoxy-benzoic acid methyl ester

Database identifiers

CAS: 33924-48-0
PubChem CID: 118574
DTXSID: DTXSID8057720
ChEMBL: CHEMBL3188482
UNII: AU3X59V4WD
EC Number: 251-743-4
Nikkaji: J287.826G

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 35.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 184

Physicochemical properties

Melting point: 150 · 150-152 °C
Boiling point: 235 · 235-240 °C(lit.)
Density: 1.259 g/mL · 1.259 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.5466(lit.)
Flash point: 230 °F · >230 °F
storage temp.: 2 · 2-8°C
form: clear liquid
color: Colorless to Light orange to Yellow
BRN: 2719088 · 2719088
CAS DataBase Reference: 33924 · 33924-48-0(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, 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.