Methyl 2,5-Dibromopentanoate - CAS 50995-48-7

Catalog:	BB027283
Product Name:	Methyl 2,5-Dibromopentanoate
CAS:	50995-48-7
Synonyms:	2,5-dibromopentanoic acid methyl ester; methyl 2,5-dibromopentanoate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl 2,5-dibromopentanoate
Description:	Methyl 2,5-Dibromopentanoate can be used for liquid crystal compounds for display devices.
Molecular Weight:	273.95
Molecular Formula:	C6H10Br2O2
Canonical SMILES:	COC(=O)C(CCCBr)Br
InChI:	InChI=1S/C6H10Br2O2/c1-10-6(9)5(8)3-2-4-7/h5H,2-4H2,1H3
InChI Key:	YVHCGWPKBSEBTH-UHFFFAOYSA-N
Boiling Point:	135 °C (17 mmHg)
Density:	1.746 g/cm³
LogP:	2.09800

Publication Number	Title	Priority Date
CN-111909077-A	2- (1-bromocyclobutyl) pyridine and synthesis method thereof	20200902
WO-2020163642-A1	Glycyrrhetinic acid derivatives for use in treating hyperkalemia	20190207
TW-202045523-A	Compounds and methods for treating hyperkalemia	20190207
EP-3150600-A1	Dihydropyrimido loop derivative as hbv inhibitor	20140530
EP-3150600-B1	Dihydropyrimido loop derivative as hbv inhibitor	20140530

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Related Functional Groups

Carbonyl Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[17746-05-3]
Undecanoyl chloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[927676-51-5]
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	106
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	273.90271
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	271.90475
Rotatable Bond Count:	5
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4