CAS 14920-87-7 Methyl 2,6-dichlorobenzoate (HCID 599542)

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Basic information

CAS: 14920-87-7
Standard SMILES: COC(=O)c1c(Cl)cccc1Cl
InChIKey: HEYGSGDIWJDORA-UHFFFAOYSA-N
Molecular formula: C8H6Cl2O2
Average molar mass: 205.03 g/mol
Monoisotopic mass: 203.97448479

Names & identifiers

Preferred name: Methyl 2,6-dichlorobenzoate
IUPAC: methyl 2,6-dichlorobenzoate
English name: METHYL 2,6-DICHLOROBENZOATE
Molecular formula: C8H6Cl2O2
Molecular weight: 205.04

Names & synonyms

Methyl 2,6-dichlorobenzoate14920-87-7DTXSID20344796RefChem:1089285DTXCID802958712,6-Dichlorobenzoic acid methyl esterBenzoic acid, 2,6-dichloro-, methyl esterMFCD013137012,6-Dichlorobenzoic acid-methyl esterAKOS008904358AT23004A884293

Show more names

RARECHEM AL BF 00212,6-dichloromethyl benzoateMethyl 2,6-dichlorobenzoate, 10 mM in DMSOMethyl 2,6dichlorobenzoate,Methyl 2,6 dichlorobenzoate

methyl-2,6-dichloro benzoateSCHEMBL517538Methyl 2,6-dichlorobenzoate #orb1220242orb1305976SCHEMBL5176387METHYL2,6-DICHLOROBENZOATEEX-A3832

Database identifiers

CAS: 14920-87-7
PubChem CID: 599542
DTXSID: DTXSID20344796
EC Number: 681-453-7
Nikkaji: J45.883J

Properties

Computed structural properties

XLogP: 2.8
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: 162

Physicochemical properties

Melting point: 25 · 25-30°C
Boiling point: 136 · 136-138/15mm
Density: 1.355 · 1.355±0.06 g/cm3(Predicted)
refractive index: 1.528 · 1.5280
Flash point: 250 °C · 250°C
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
Hazard Codes: Xi
Safety Statements: 22 · 22-24/25
Hazard Note: Irritant
HS Code: 2916399090 · 2916399090

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.