4-Benzyloxybromobenzene - CAS 6793-92-6
Catalog:
BB033442
Product Name:
4-Benzyloxybromobenzene
CAS:
6793-92-6
Synonyms:
1-bromo-4-phenylmethoxybenzene
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BB033442
1 kg
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IUPAC Name: 1-bromo-4-phenylmethoxybenzene
Description: 4-Benzyloxybromobenzene (CAS# 6793-92-6) is a compound useful in organic synthesis.
Molecular Weight: 263.13
Molecular Formula: C13H11BrO
Canonical SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)Br
InChI: InChI=1S/C13H11BrO/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9H,10H2
InChI Key: OUQSGILAXUXMGI-UHFFFAOYSA-N
Boiling Point: 166-167 °C (4 mmHg)
Melting Point: 60-63 °C
Purity: 98 %
Density: 1.382 g/cm3
Appearance: White solid
MDL: MFCD00028016
LogP: 4.02810
GHS Hazard Statement: H315 (20.93%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement: P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word: Warning
Publication Number Title Priority Date
CN-112898133-A Preparation method of trans-ketone intermediate 20210127
WO-2021178920-A1 Compounds for targeted degradation of brd9 20200305
WO-2021167008-A1 Method for producing aromatic astatine compound 20200221
WO-2021105117-A1 Substituted aminoquinolones as dgkalpha inhibitors for immune activation 20191128
WO-2021020363-A1 Heterocyclic compound 20190729
PMID Publication Date Title Journal
21608133 20110801 Aromatase and dual aromatase-steroid sulfatase inhibitors from the letrozole and vorozole templates ChemMedChem
Complexity: 169
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Exact Mass: 261.99933
Formal Charge: 0
Heavy Atom Count: 15
Hydrogen Bond Acceptor Count: 1
Hydrogen Bond Donor Count: 0
Isotope Atom Count: 0
Monoisotopic Mass: 261.99933
Rotatable Bond Count: 3
Topological Polar Surface Area: 9.2 Å2
Undefined Atom Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 4.5
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