Methyl 4'-(bromomethyl)biphenyl-2-carboxylate

HCID 11012181

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Grundinformationen

CAS: 114772-38-2
Standard-SMILES: COC(=O)c1ccccc1-c1ccc(CBr)cc1
InChIKey: RMXGTMRDXKUUDJ-UHFFFAOYSA-N
Summenformel: C15H13BrO2
Durchschnittliche Molmasse: 305,17 g/mol
Monoisotopische Masse: 304,00989176

Namen und Bezeichner

Bevorzugter Name: Methyl 4'-(bromomethyl)biphenyl-2-carboxylate
IUPAC: methyl 2-[4-(bromomethyl)phenyl]benzoate
Englischer Name: Methyl 2-[4-(bromomethyl)phenyl]benzoate
Summenformel: C15H13BrO2
Molmasse: 305.17

Namen und Synonyme

Methyl 4'-(Bromomethyl)biphenyl-2-carboxylateRefChem:815652601-325-6114772-38-2Methyl 2-[4-(bromomethyl)phenyl]benzoateMethyl 4'-bromomethyl biphenyl-2-carboxylateMETHYL 4'-(BROMOMETHYL)-[1,1'-BIPHENYL]-2-CARBOXYLATEMFCD06200816Methyl 4'-bromomethyl-biphenyl-2-carboxylate[1,1'-BIPHENYL]-2-CARBOXYLIC ACID, 4'-(BROMOMETHYL)-, METHYL ESTER4'-Bromomethylbiphenyl-2-carboxylic Acid, Methyl EsterTelmisartan Bromo Methyl Ester

Weitere Namen anzeigen

METHYL-4-(BROMOMETHYL)-BIPHENYL-2-CARBOXYLATETelmisartan Impurity ITelmisartan Impurity 16Telmisartan Related Compound4 '- methyl -2- methyl formateMethyl α-bromo-2-(p-tolyl)benzoate4-BROMOMETHYLBIPHENYL-2-CARBONYLATE

4'-bromomethylbiphenyl-2-carboxylic acid methyl esterMethyl 2-(4'-Bromomethylphenyl)benzoateMethyl 4/'-bromomethylbiphenyl-2-carboxylateMethyl 2-(4-(bromomethyl)phenyl)benzoateMethyl 4'-(bromomethyl)[1,1'-biphenyl]-2-carboxylateMethyl 4'-bromomethylbiphenyl-2-carboxylateMethyl 4'-bromomethyl-2-biphenylcarboxylatemethyl 4'-(bromomethyl)-(1,1'-biphenyl)-2-carboxylate

Datenbank-Bezeichner

CAS: 114772-38-2
PubChem CID: 11012181
DTXSID: DTXSID70921490
UNII: WA6MN7B9EQ
EC Number: 601-325-6
Nikkaji: J2.649.802C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,6
Polarare Oberfläche (TPSA): 26,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 4
Schwere Atome: 18
Formalladung: 0
Komplexität: 272

Physikochemische Eigenschaften

Schmelzpunkt: 56 °C · 56 °C
Siedepunkt: 412.8 · 412.8±38.0 °C(Predicted)
Dichte: 1.374 · 1.374±0.06 g/cm3(Predicted)
Dampfdruck: 0.001 · 0.001-0.002Pa at 20-25℃
storage temp.: 2 · Inert atmosphere,2-8°C
Löslichkeit: soluble in Toluene
Aggregatzustand: Powder
Farbe: White to Light yellow
InChI: InChI=1S/C15H13BrO2/c1-18-15(17)14-5-3-2-4-13(14)12-8-6-11(10-16)7-9-12/h2-9H,10H2,1H3
InChIKey: RMXGTMRDXKUUDJ-UHFFFAOYSA-N
SMILES: C1(C2=CC=C(CBr)C=C2)=CC=CC=C1C(OC)=O
CAS Datenbank: 114772 · 114772-38-2(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 14.3% (1 of 7) of reports.

Warning

H302 (28.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.