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7-Bromo-1,3,4,5-tetrahydrobenzo[b]azepin-2-one

7-Bromo-1,3,4,5-tetrahydrobenzo[b]azepin-2-one - CAS 53841-99-9

Catalog:	BB028370
Product Name:	7-Bromo-1,3,4,5-tetrahydrobenzo[b]azepin-2-one
CAS:	53841-99-9
Synonyms:	7-bromo-1,3,4,5-tetrahydro-1-benzazepin-2-one; 7-bromo-1,3,4,5-tetrahydro-1-benzazepin-2-one

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	7-bromo-1,3,4,5-tetrahydro-1-benzazepin-2-one
Description:	7-Bromo-1,3,4,5-tetrahydrobenzo[b]azepin-2-one (CAS# 53841-99-9 ) is a useful research chemical.
Molecular Weight:	240.10
Molecular Formula:	C10H10BrNO
Canonical SMILES:	C1CC2=C(C=CC(=C2)Br)NC(=O)C1
InChI:	InChI=1S/C10H10BrNO/c11-8-4-5-9-7(6-8)2-1-3-10(13)12-9/h4-6H,1-3H2,(H,12,13)
InChI Key:	RVPUXBJFIDCMLW-UHFFFAOYSA-N
Boiling Point:	385.8 °C at 760 mmHg
Density:	1.475 g/cm³
LogP:	2.86190

Publication Number	Title	Priority Date
WO-2019116324-A1	Triazolobenzazepines as vasopressin v1a receptor antagonists	20171215
AU-2018385724-A1	Triazolobenzazepines as vasopressin V1a receptor antagonists	20171215
EP-3724192-A1	Triazolobenzazepines as vasopressin v1a receptor antagonists	20171215
CA-3081651-A1	Pyridinone derivatives and their use as selective alk-2 inhibitors	20171124
WO-2019102256-A1	Pyridinone derivatives and their use as selective alk-2 inhibitors	20171124

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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
[55441-25-3]
1-(2-Cyanophenyl)urea
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[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:	207
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	238.99458
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	238.99458
Rotatable Bond Count:	0
Topological Polar Surface Area:	29.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1