6-Bromo-1-hexanol - CAS 4286-55-9

Catalog:	BB025260
Product Name:	6-Bromo-1-hexanol
CAS:	4286-55-9
Synonyms:	6-bromohexan-1-ol

Technical Data

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Computed Properties

IUPAC Name:	6-bromohexan-1-ol
Description:	6-Bromo-1-hexanol (CAS# 4286-55-9) is a useful synthetic intermediate. 6-Bromo-1-hexanol is used as a reagent in the preparation of nitric oxide-donating analogues of Sulindac (S699215), a non-steroidal anti-inflammatory drug that has the ability to prevent colon cancer.
Molecular Weight:	181.07
Molecular Formula:	C6H13BrO
Canonical SMILES:	C(CCCBr)CCO
InChI:	InChI=1S/C6H13BrO/c7-5-3-1-2-4-6-8/h8H,1-6H2
InChI Key:	FCMCSZXRVWDVAW-UHFFFAOYSA-N
Boiling Point:	104-106 °C (5 mmHg)
Purity:	98 %
Density:	1.32 g/cm³
Appearance:	Liquid
MDL:	MFCD00002983
LogP:	1.93400

Publication Number	Title	Priority Date
CN-113437341-A	Amphoteric ion conduction membrane for flow battery and preparation method thereof	20210628
CN-113214283-A	Preparation method of furan macrocyclic compound, prepared furan macrocyclic compound and application	20210412
CN-112473396-A	Anion exchange membrane material for diffusion dialysis acid recovery and preparation method thereof	20201127
CN-112538079-A	Coumarin derivative and synthesis method and application thereof	20201110
CN-112375168-A	Side chain rod-shaped polar liquid crystal polymer, preparation method thereof and application thereof in nonlinear optical field	20201028

PMID	Publication Date	Title	Journal
16981755	20060926	Study on the surface density of surface-active substances through total-reflection X-ray absorption fine structure measurement	Langmuir : the ACS journal of surfaces and colloids
15839679	20050427	Product bound structures of the soluble methane monooxygenase hydroxylase from Methylococcus capsulatus (Bath): protein motion in the alpha-subunit	Journal of the American Chemical Society
15025532	20040301	A novel, high-affinity, fluorescent progesterone receptor antagonist. Synthesis and in vitro studies	Bioconjugate chemistry
12530562	20021001	Synthesis of 9,9,9-trideutero-1,4-dihydroxynonane mercapturic acid (d3-DHN-MA), a useful internal standard for DHN-MA urinalysis	Lipids

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GHS Hazard Statement:	H315 (100%): 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

Complexity:	39.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	180.01498
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	180.01498
Rotatable Bond Count:	5
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7