6-Bromohexanoic acid - CAS 4224-70-8

Name: 6-Bromohexanoic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

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

Technical Data

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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 °C (20 mmHg)
Melting Point:	32-35 °C
Purity:	> 96.0 % (GC) (T)
Density:	1.44 g/cm³
Appearance:	White to light orange low melting crystals
Storage:	2-8 °C
MDL:	MFCD00004422
LogP:	2.02630

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Related Functional Groups

Carbonyl Compounds

[17746-05-3]C11H21ClO
Undecanoyl chloride
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea
[956439-56-8]C6H5N3O6
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[253429-30-0]C12H16BrFO3
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[957292-12-5]C8H10N2O2
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic 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

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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

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