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3-Bromo-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one

3-Bromo-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one - CAS 86499-96-9

Catalog:	BB037962
Product Name:	3-Bromo-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
CAS:	86499-96-9
Synonyms:	3-bromo-1,3,4,5-tetrahydro-1-benzazepin-2-one; 3-bromo-1,3,4,5-tetrahydro-1-benzazepin-2-one

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-bromo-1,3,4,5-tetrahydro-1-benzazepin-2-one
Description:	3-Bromo-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one (CAS# 86499-96-9) is a useful research chemical.
Molecular Weight:	240.10
Molecular Formula:	C10H10BrNO
Canonical SMILES:	C1CC2=CC=CC=C2NC(=O)C1Br
InChI:	InChI=1S/C10H10BrNO/c11-8-6-5-7-3-1-2-4-9(7)12-10(8)13/h1-4,8H,5-6H2,(H,12,13)
InChI Key:	JMXPGCGROVEPID-UHFFFAOYSA-N
Boiling Point:	383.181 °C at 760 mmHg
Density:	1.492 g/cm³
MDL:	MFCD03085918
LogP:	2.47280

Publication Number	Title	Priority Date
CN-113292495-A	Synthesis method of (S) -amino compound	20210618
CN-113149907-A	Synthetic method of 3-bromo-1, 3,4, 5-tetrahydro-2H-1-benzazepin-2-one	20210316
CN-110835319-A	Synthesis method of benazepril intermediate and benazepril hydrochloride	20180816
CN-106928126-B	Amide derivative, preparation method and pharmaceutical application thereof	20151231
US-2010125132-A1	Preparation of diazo and diazonium compounds	20081117

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[87-88-7]
Chloranilic acid
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid

GHS Hazard Statement:	H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, 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:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3