Methyl 2,4-dichlorobenzoate

HCID 37055

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Basic information

CAS: 35112-28-8
Standard SMILES: COC(=O)c1ccc(Cl)cc1Cl
InChIKey: VCRWILYAWSRHBN-UHFFFAOYSA-N
Molecular formula: C8H6Cl2O2
Average molar mass: 205.03 g/mol
Monoisotopic mass: 203.97448479

Names & identifiers

Preferred name: Methyl 2,4-dichlorobenzoate
IUPAC: methyl 2,4-dichlorobenzoate
English name: Methyl 2,4-dichlorobenzoate
Molecular formula: C8H6Cl2O2
Molecular weight: 205.04

Names & synonyms

Methyl 2,4-dichlorobenzoate35112-28-8DTXSID60188611EINECS 252-374-1RefChem:812936DTXCID20111102252-374-1Methyl2,4-DichlorobenzoateMFCD00085117Benzoic acid, 2,4-dichloro-, methyl ester2,4-Dichlorobenzoic Acid Methyl EsterMETHYL-2,4-DICHLOROBENZOATE

Show more names

RARECHEM AL BF 0019Methyle2, 4-dichlorobenzoateMethyl2,4-Dichlorobenzoate>Methyl 2,4-dichlorobenzoate 97%2,4-Dichloro-benzoic acid ethyl ester

Methyl ester of 2,4-Dichlorobenzoic acidAKOS002723300PS-4659SY017932D2855Q633953702,4-Dichlorobenzoic AciA822575

Database identifiers

CAS: 35112-28-8
PubChem CID: 37055
DTXSID: DTXSID60188611
UNII: H6U2F2339F
EC Number: 252-374-1
Nikkaji: J45.884H

Properties

Computed structural properties

XLogP: 3
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: 172

Physicochemical properties

Melting point: 154 · 154-155℃
Boiling point: 239 °C · 239 °C (lit.)
Density: 1.386 g/mL · 1.386 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.557(lit.)
Flash point: 230 °F · >230 °F
storage temp.: Sealed in dry,Room Temperature
form: Liquid
color: Clear colorless to pale yellow
InChI: 1S/C8H6Cl2O2/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4H,1H3
InChIKey: VCRWILYAWSRHBN-UHFFFAOYSA-N
SMILES: COC(=O)c1ccc(Cl)cc1Cl
CAS DataBase Reference: 35112 · 35112-28-8(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
PPE: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39-23
WGK Germany: 3 · 3
Hazard Note: Irritant
HS Code: 29163990 · 29163990
Storage Class: 10 · 10 - Combustible liquids

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 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Safety data

PPE: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
wgk: 3
hs_code: 29163990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36/37/39-23
Storage Class: 10 - Combustible liquids
Hazard statements: H315-H319-H335
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a