6-Bromohexanoic acid - CAS 4224-70-8

Catalog:	BB025087
Product Name:	6-Bromohexanoic acid
CAS:	4224-70-8
Synonyms:	6-bromohexanoic acid

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	6-bromohexanoic acid
Description:	6-Bromohexanoic acid (CAS# 4224-70-8) is useful for the preparation of anti-CTLA4 compounds as antitumor agents.
Molecular Weight:	195.05
Molecular Formula:	C6H11BrO2
Canonical SMILES:	C(CCC(=O)O)CCBr
InChI:	InChI=1S/C6H11BrO2/c7-5-3-1-2-4-6(8)9/h1-5H2,(H,8,9)
InChI Key:	NVRVNSHHLPQGCU-UHFFFAOYSA-N
Boiling Point:	165-170 ℃ (20 mmHg)
Melting Point:	32-35 ℃
Purity:	> 96.0 % (GC) (T)
Density:	1.44 g/cm³
Appearance:	White to light orange low melting crystals
Storage:	2-8 ℃
MDL:	MFCD00004422
LogP:	2.02630

Publication Number	Title	Priority Date
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CN-113264842-A	Lipid compound, lipid carrier containing same, nucleic acid lipid nanoparticle composition and pharmaceutical preparation	20210721
CN-113480418-A	New compound and application thereof in preparing medicine for treating cancer	20210713
CN-113350336-A	Application of heptamethine indocyanine or derivative thereof	20210701
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PMID	Publication Date	Title	Journal
21994883	20120101	Pathological features of new animal models for primary biliary cirrhosis	International journal of hepatology
22007316	20120101	PBC: Animal Models of Cholangiopathies and Possible Endogenous Viral Infections	International journal of hepatology
21727893	20110704	Synthesis and anticancer activity of some new s-glycosyl and s-alkyl 1,2,4-triazinone derivatives	Molecules (Basel, Switzerland)
22295019	20110601	Environmental pathways to autoimmune diseases: the cases of primary biliary cirrhosis and multiple sclerosis	Archives of medical science : AMS
20930861	20110101	Modified polyethyleneimine with histidine-lysine short peptides as gene carrier	Cancer gene therapy

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Related Functional Groups

Carbonyl Compounds

[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[927676-51-5]
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid
[108397-75-7]
2,4,6-Trimethylpyrimidine-5-carboxylic Acid

GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	83.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	193.99424
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	193.99424
Rotatable Bond Count:	5
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1