9-Bromo-1-nonanol - CAS 55362-80-6

Catalog:	BB029011
Product Name:	9-Bromo-1-nonanol
CAS:	55362-80-6
Synonyms:	9-Bromononanol

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	9-bromononan-1-ol
Description:	9-Bromononanol has anticancer activity.
Molecular Weight:	223.15
Molecular Formula:	C9H19BrO
Canonical SMILES:	C(CCCCO)CCCCBr
InChI:	InChI=1S/C9H19BrO/c10-8-6-4-2-1-3-5-7-9-11/h11H,1-9H2
InChI Key:	USJDOLXCPFASNV-UHFFFAOYSA-N
Boiling Point:	125-126 °C (2 mmHg)
Purity:	> 85.0 % by GC
Density:	1.188 g/cm³
MDL:	MFCD00063348
LogP:	3.10430

Publication Number	Title	Priority Date
CN-112457877-A	Preparation method of high-dehydration-rate oil field demulsifier	20210125
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Related Functional Groups

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Oxygen Compounds

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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:	66.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	222.06193
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	222.06193
Rotatable Bond Count:	8
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4