7-Bromoheptanoic Acid - CAS 30515-28-7

Catalog:	BB020634
Product Name:	7-Bromoheptanoic Acid
CAS:	30515-28-7
Synonyms:	7-bromoheptanoic acid; 7-bromoheptanoic acid

Technical Data

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Computed Properties

IUPAC Name:	7-bromoheptanoic acid
Description:	7-Bromoheptanoic Acid (CAS# 30515-28-7) is a reagent that is used in the synthesis of N-Heptanoic Acid Tianeptine Disodium Salt (H281500) which are metabolite of Tianeptine (T436800), having psychostimulant, anti-ulcer and anti-emetic properties.
Molecular Weight:	209.08
Molecular Formula:	C7H13BrO2
Canonical SMILES:	C(CCCBr)CCC(=O)O
InChI:	InChI=1S/C7H13BrO2/c8-6-4-2-1-3-5-7(9)10/h1-6H2,(H,9,10)
InChI Key:	JLPQXFFMVVPIRW-UHFFFAOYSA-N
Boiling Point:	280.7 °C
Density:	1.376 g/cm³
MDL:	MFCD00037800
LogP:	2.41640

Publication Number	Title	Priority Date
WO-2021051034-A1	Ras protein degraders, pharmaceutical compositions thereof, and their therapeutic applications	20190913
WO-2021033200-A1	A process for preparation of sultones	20190821
WO-2020102430-A1	Use of type i and type ii polyketide synthases for the production of cannabinoids and cannabinoid analogs	20181114
WO-2020079224-A1	Azithromycin derivatives containing a phosphonium ion as anticancer agents	20181019
WO-2020072605-A1	Ionizable amine lipids	20181002

PMID	Publication Date	Title	Journal
16522072	20060315	Enantioselective synthesis of pentacycloanammoxic acid	Journal of the American Chemical Society
15571387	20041208	Total synthesis of (+/-)-pentacycloanammoxic acid	Journal of the American Chemical Society

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[55441-25-3]
1-(2-Cyanophenyl)urea
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride

GHS Hazard Statement:	H290 (14.29%): May be corrosive to metals [Warning Corrosive to Metals]
Precautionary Statement:	P234, P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P390, P404, P405, and P501
Signal Word:	Danger

Complexity:	93.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	208.00989
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	208.00989
Rotatable Bond Count:	6
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1