CAS 56525-63-4 Methyl 3-Chloro-4-methylbenzoate (HCID 2801405)

Substructure search Find similar structures

Basic information

CAS: 56525-63-4
Standard SMILES: COC(=O)c1ccc(C)c(Cl)c1
InChIKey: KTFQDZCNPGFKAH-UHFFFAOYSA-N
Molecular formula: C9H9ClO2
Average molar mass: 184.62 g/mol
Monoisotopic mass: 184.02910721

Names & identifiers

Preferred name: Methyl 3-Chloro-4-methylbenzoate
IUPAC: methyl 3-chloro-4-methylbenzoate
English name: Methyl 3-chloro-4-methylbenzoate
Molecular formula: C9H9ClO2
Molecular weight: 184.62

Names & synonyms

Methyl 3-Chloro-4-methylbenzoate56525-63-4DTXSID70384243RefChem:354934DTXCID40335267639-391-3Benzoic acid, 3-chloro-4-methyl-, methyl esterMethyl-3-chloro-4-methylbenzoateMFCD00205141Methyl 3-Chloro-p-toluate3-Chloro-4-methylbenzoic Acid Methyl Estermethyl-3-chloro-4-metylbenzoate

Show more names

Methyl 3-chloro-4-meMethyl4-Methyl-3-ChlorobenzoateMethyl 3Chioro-4-Methyl benzoateMethyl3-Chloro-4-methylbenzoate>2-Chloro-4-(methoxycarbonyl)toluene3-Chloro-p-toluic Acid Methyl EsterMethyl 3-chloro-4-methylbenzoate 97%3-Chloro-4-methylbenzoic acidmethylester

AKOS009158184AC-5778FS-2596SY003376M2136Methyl3-chloro-4-methylbenzoatemethyl 3-chloro-4-methyl-benzoateMethyl 4-methyl-3-ch

Database identifiers

CAS: 56525-63-4
PubChem CID: 2801405
DTXSID: DTXSID70384243
EC Number: 639-391-3

Properties

Computed structural properties

XLogP: 3.5
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

Melting point: 28 · 28-29°C
Boiling point: 68 °C · 68 °C
Density: 1.186 · 1.186±0.06 g/cm3(Predicted)
Flash point: 119 · 119-120°C/10mm
storage temp.: Sealed in dry,Room Temperature
form: powder to lump
color: White to Almost white
InChIKey: KTFQDZCNPGFKAH-UHFFFAOYSA-N
CAS DataBase Reference: 56525 · 56525-63-4(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280a-P305+P351+P338-P321-P332+P313-P337+P313
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements

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)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 29163990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-37/39-36
Hazard statements: H315-H319
Precautionary statements: P264-P280a-P305+P351+P338-P321-P332+P313-P337+P313