1-Bromo-5-chloropentane - CAS 54512-75-3

Catalog:	BB028703
Product Name:	1-Bromo-5-chloropentane
CAS:	54512-75-3
Synonyms:	1-bromo-5-chloropentane

Technical Data

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Computed Properties

IUPAC Name:	1-bromo-5-chloropentane
Description:	1-Bromo-5-chloropentane (CAS# 54512-75-3) is a chemical reagent used in the synthesis of novel imidazole derivatives as heme-oxygenase (HO-1 and HO-2) inhibitors for use as cytotoxic agents against cancer cell lines.
Molecular Weight:	185.49
Molecular Formula:	C5H10BrCl
Canonical SMILES:	C(CCCl)CCBr
InChI:	InChI=1S/C5H10BrCl/c6-4-2-1-3-5-7/h1-5H2
InChI Key:	PHHNNDKXQVKJEP-UHFFFAOYSA-N
Boiling Point:	210-212 ℃
Purity:	97 %
Density:	1.408 g/cm³
Appearance:	Clear colourless liquid
MDL:	MFCD00001016
LogP:	2.79040

Publication Number	Title	Priority Date
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GHS Hazard Statement:	H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	31.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	183.96544
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	183.96544
Rotatable Bond Count:	4
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6