Methyl 3,5-dichlorobenzoate

HCID 76192

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Grundinformationen

CAS: 2905-67-1
Standard-SMILES: COC(=O)c1cc(Cl)cc(Cl)c1
InChIKey: BTEVDFJXGLQUDS-UHFFFAOYSA-N
Summenformel: C8H6Cl2O2
Durchschnittliche Molmasse: 205,03 g/mol
Monoisotopische Masse: 203,9744848

Namen und Bezeichner

Bevorzugter Name: Methyl 3,5-dichlorobenzoate
IUPAC: methyl 3,5-dichlorobenzoate
Englischer Name: 3,5-DICHLOROBENZOIC ACID METHYL ESTER
Summenformel: C8H6Cl2O2
Molmasse: 205.04

Namen und Synonyme

Methyl 3,5-dichlorobenzoate2905-67-1Benzoic acid, 3,5-dichloro-, methyl esterDTXSID70421464GIM06EE3PDTXCID5022146RefChem:814670668-637-2InChI=1/C8H6Cl2O2/c1-12-8(11)5-2-6(9)4-7(10)3-5/h2-4H,1H3,5-DICHLOROBENZOIC ACID METHYL ESTERMFCD00032710Methyl-3,5-dichlorobenzoate

Weitere Namen anzeigen

RARECHEM AL BF 0057Methylparaben Impurity 22Methyl 3,5-dichlorobenzoate 98%Methyl 3,5-dichlorobenzoate , Tech.Methyl 3,5- Dichlorobenzoate StandardMethyl-3,5-dichlorobenzoate@100 μg/mL in MeOH

Methyl3,5-dichlorobenzoateBUTTPARK 45\07-94Maybridge1_004559UNII-4GIM06EE3PSCHEMBL588343SCHEMBL1816269SCHEMBL6965570SCHEMBL9566147

Datenbank-Bezeichner

CAS: 2905-67-1
PubChem CID: 76192
DTXSID: DTXSID7042146
ChEMBL: CHEMBL3184246
UNII: 4GIM06EE3P
EC Number: 668-637-2
Nikkaji: J45.880E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,4
Polarare Oberfläche (TPSA): 26,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 12
Formalladung: 0
Komplexität: 162

Physikochemische Eigenschaften

Schmelzpunkt: 56 °C · 56 °C
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Chloroform (Slightly), DMSO (Slightly, Sonicated)
Aggregatzustand: Solid
Farbe: White to Off-White
InChIKey: BTEVDFJXGLQUDS-UHFFFAOYSA-N
CAS Datenbank: 2905 · 2905-67-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H301 (88.9%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (11.1%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (11.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (11.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.