Ethyl 8-Bromooctanoate - CAS 29823-21-0

Catalog:	BB020339
Product Name:	Ethyl 8-Bromooctanoate
CAS:	29823-21-0
Synonyms:	8-bromooctanoic acid ethyl ester; ethyl 8-bromooctanoate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	ethyl 8-bromooctanoate
Description:	Ethyl 8-Bromooctanoate (CAS# 29823-21-0) is a useful research reagent for organic synthesis and other chemical processes.
Molecular Weight:	251.16
Molecular Formula:	C10H19BrO2
Canonical SMILES:	CCOC(=O)CCCCCCCBr
InChI:	InChI=1S/C10H19BrO2/c1-2-13-10(12)8-6-4-3-5-7-9-11/h2-9H2,1H3
InChI Key:	UBTQVPMVWAEGAC-UHFFFAOYSA-N
Boiling Point:	267.1 °C at 760 mmHg
Density:	1.194 g/cm³
MDL:	MFCD00045057
LogP:	3.28500

Publication Number	Title	Priority Date
CN-113087623-A	Synthesis method of 8-bromoethyl octanoate	20210413
CN-112661662-A	Preparation method of sodium 8- (2-hydroxybenzamido) caprylate	20201229
CN-112898220-A	Preparation method of N- (8- [ 2-hydroxybenzoyl ] -amino) sodium caprylate and intermediate thereof	20201207
WO-2021205391-A1	Targeted protease degradation (ted) platform	20200409
WO-2021172552-A1	Cured product, curable resin composition, optical member, lens, diffractive optical element, multi-layer diffractive optical element, and compound	20200228

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Related Functional Groups

Carbonyl Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid

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:	126
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	250.05684
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	250.05684
Rotatable Bond Count:	9
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3