3-Chlorophenethyl bromide - CAS 16799-05-6

Name: 3-Chlorophenethyl bromide
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB012443
Product Name:	3-Chlorophenethyl bromide
CAS:	16799-05-6
Synonyms:	1-(2-bromoethyl)-3-chlorobenzene

Technical Data

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Computed Properties

IUPAC Name:	1-(2-bromoethyl)-3-chlorobenzene
Description:	3-Chlorophenethyl bromide (CAS# 16799-05-6 ) is a useful research chemical.
Molecular Weight:	219.51
Molecular Formula:	C8H8BrCl
Canonical SMILES:	C1=CC(=CC(=C1)Cl)CCBr
InChI:	InChI=1S/C8H8BrCl/c9-5-4-7-2-1-3-8(10)6-7/h1-3,6H,4-5H2
InChI Key:	LKPWGXCMVLJRIK-UHFFFAOYSA-N
Boiling Point:	239.3 °C at 760 mmHg
Density:	1.489 g/cm³
MDL:	MFCD04117465
LogP:	3.27740

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Related Functional Groups

Halides

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GHS Hazard Statement:	H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
WO-2021201036-A1	Hydroxypyrrolidine derivative and medicinal application thereof	20200331
WO-2020084131-A1	Aminopeptidase a inhibitors and pharmaceutical compositions comprising the same	20181026
TW-202029962-A	Aminopeptidase a inhibitors and pharmaceutical compositions comprising the same	20181026
AU-2019365119-B2	Aminopeptidase a inhibitors and pharmaceutical compositions comprising the same	20181026
CN-113166182-A	Aminopeptidase A inhibitor and pharmaceutical composition comprising the same	20181026

Complexity:	95.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	217.94979
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	217.94979
Rotatable Bond Count:	2
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.9