Ethyl 4-bromophenylacetate - CAS 14062-25-0

Name: Ethyl 4-bromophenylacetate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Technical Data

IUPAC Name:	ethyl 2-(4-bromophenyl)acetate
Description:	Ethyl 4-bromophenylacetate (CAS# 14062-25-0) is used to prepare highly selective and orally active Lysophosphatidic Acid (LPA) receptor-1 antagonists with potent activity on human lung fibroblasts.
Molecular Weight:	243.10
Molecular Formula:	C10H11BrO2
Canonical SMILES:	CCOC(=O)CC1=CC=C(C=C1)Br
InChI:	InChI=1S/C10H11BrO2/c1-2-13-10(12)7-8-3-5-9(11)6-4-8/h3-6H,2,7H2,1H3
InChI Key:	ZFDCWHPNBWPPHG-UHFFFAOYSA-N
Boiling Point:	88-90 °C / 0.35 mmHg
Melting Point:	29-33 °C (lit.)
Purity:	95 %
Density:	1.389 g/cm³
Appearance:	Clear colorless to pale yellow liquid
Storage:	Sealed in dry, Room Temperature
MDL:	MFCD00016333
LogP:	2.55470

GHS Hazard Statement:	H302 (86.36%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021194318-A1	Plk1 selective degradation inducing compound	20200327
WO-2021188936-A1	Phd inhibitor compounds, compositions, and use	20200320
WO-2021188944-A1	Phd inhibitor compounds, compositions, and their use	20200320
KR-20210112061-A	Single atom catalyst and method of forming the same	20200304
WO-2021177705-A1	Single-atom catalyst and method for forming same	20200304

Complexity:	162
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	241.99424
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	241.99424
Rotatable Bond Count:	4
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3