N-(2-Bromoethyl)phthalimide - CAS 574-98-1

Name: N-(2-Bromoethyl)phthalimide
Brand: BOC Sciences
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Catalog:	BB029723
Product Name:	N-(2-Bromoethyl)phthalimide
CAS:	574-98-1
Synonyms:	2-(2-bromoethyl)isoindole-1,3-dione

Technical Data

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Computed Properties

IUPAC Name:	2-(2-bromoethyl)isoindole-1,3-dione
Description:	N-(2-Bromoethyl)phthalimide (CAS# 574-98-1) is a building block that has been used as a reactant for the preparation of β-Cyclodextrin derivatives.
Molecular Weight:	254.08
Molecular Formula:	C10H8BrNO2
Canonical SMILES:	C1=CC=C2C(=C1)C(=O)N(C2=O)CCBr
InChI:	InChI=1S/C10H8BrNO2/c11-5-6-12-9(13)7-3-1-2-4-8(7)10(12)14/h1-4H,5-6H2
InChI Key:	CHZXTOCAICMPQR-UHFFFAOYSA-N
Boiling Point:	318 °C
Density:	1.657 g/cm³
MDL:	MFCD00005902
LogP:	1.61540

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[253429-30-0]C12H16BrFO3
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

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

Publication Number	Title	Priority Date
CN-113185442-A	Pramipexole hydrate crystal and preparation method thereof	20210511
CN-113295667-A	Detect Cu simultaneously+And Cu2+Surface-enhanced Raman spectrum probe and preparation method and application thereof	20210430
CN-112251820-A	VEGFR-2 inhibitor screening method, VEGFR-2 inhibitor and antitumor drug	20201023
CN-111925320-A	Method for efficiently synthesizing polysubstituted 2-pyridone compound	20200812
WO-2021207291-A1	Compounds and uses thereof	20200406

PMID	Publication Date	Title	Journal
24378967	20131227	Synthesis of novel 2-(substituted amino)alkylthiopyrimidin-4(3H)-ones as potential antimicrobial agents	Molecules (Basel, Switzerland)
22219876	20111101	2-(2-Bromo-eth-yl)isoindoline-1,3-dione	Acta crystallographica. Section E, Structure reports online
19734050	20091001	Identification and characterization of novel sirtuin inhibitor scaffolds	Bioorganic & medicinal chemistry

Complexity:	243
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	252.97384
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	252.97384
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2