6-Bromo-benzo[b]thiophene-2-carboxylic acid methyl ester

HCID 22474078CAS 360576-01-8

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Grundinformationen

Standard-SMILES: COC(=O)c1cc2ccc(Br)cc2s1
InChIKey: SFDVDNLBYGHFNF-UHFFFAOYSA-N
Summenformel: C10H7BrO2S
Durchschnittliche Molmasse: 271,13 g/mol
Monoisotopische Masse: 269,93501256

Namen und Bezeichner

Bevorzugter Name: 6-Bromo-benzo[b]thiophene-2-carboxylic acid methyl ester
IUPAC: methyl 6-bromo-1-benzothiophene-2-carboxylate
Englischer Name: 6-Bromo-benzo[b]thiophene-2-carboxy lic acid methyl ester
Summenformel: C10H7BrO2S
Molmasse: 271.13

Namen und Synonyme

6-Bromo-benzo[b]thiophene-2-carboxylic acid methyl ester6-Bromo-benzo(b)thiophene-2-carboxylic acid methyl esterRefChem:541192692-362-7360576-01-8Methyl 6-bromobenzo[b]thiophene-2-carboxylateMethyl 6-bromo-1-benzothiophene-2-carboxylateMFCD073715416-bromobenzothiophene-2-carboxylic acid methyl ester6-BROMO-BENZO[B]THIOPHENE-2-CARBOXY LIC ACID METHYL ESTERmethyl 6-bromobenzothiophene-2-carboxylatemethyl6-bromobenzo[b]thiophene-2-carboxylate

Weitere Namen anzeigen

6-bromo-benzo[b]thiophene-2-carboxyLMethyl 6-BroMobenzo[b]thiophene-2-carboxyPiperazine,1-(3-chlorophenyl)-,hydrochloride(1:4)6-BroMo-1-benzothiophene-2-carboxylic Acid Methyl EsterBenzo[b]thiophene-2-carboxylic acid, 6-bromo-, methyl esterMethyl 6-bromo-1-benzothiophene-2-carboxylate, 6-Bromo-2-(methoxycarbonyl)benzo[b]thiophene

DTXSID50625904CS1251SY104145AMY5738SCHEMBL497904SCHEMBL29445391AKOS005073408LA-0701

Datenbank-Bezeichner

CAS: 360576-01-8
PubChem CID: 22474078
DTXSID: DTXSID50625904
EC Number: 692-362-7

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,8
Polarare Oberfläche (TPSA): 54,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 14
Formalladung: 0
Komplexität: 234

Physikochemische Eigenschaften

Schmelzpunkt: 117 · 117-119°
Siedepunkt: 358.9 · 358.9±22.0 °C(Predicted)
Dichte: 1.622 · 1.622±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C(protect from light)
Aggregatzustand: powder
Farbe: Off-white

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

hs_code: 2934999090
hazard_class: IRRITANT

Chemie und Industrie

Anwendungen

Verwenden6-Bromobenzo[b]thiophene-2-carboxylic acid methyl ester is used in the synthesis of benzothiophene derivatives as histone deacetylase inhibitors.