4-Bromophthalimide - CAS 6941-75-9

Catalog:	BB044318
Product Name:	4-Bromophthalimide
CAS:	6941-75-9
Synonyms:	5-Bromo-isoindole-1,3-dione; 4-Bromo phthalimide; 5-Bromo-2,3-Dihydro-1H-Isoindole-1,3-Dione; 5-bromo-1H-isoindole-1,3(2H)-dione; 5-bromophthalimide; NSC38028

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	5-bromoisoindole-1,3-dione
Description:	4-Bromophthalimide (CAS# 6941-75-9 ) is a useful research chemical.
Molecular Weight:	226.03
Molecular Formula:	C8H4BrNO2
Canonical SMILES:	C1=CC2=C(C=C1Br)C(=O)NC2=O
InChI:	InChI=1S/C8H4BrNO2/c9-4-1-2-5-6(3-4)8(12)10-7(5)11/h1-3H,(H,10,11,12)
InChI Key:	GNYICZVGHULCHE-UHFFFAOYSA-N
Melting Point:	235 °C
Purity:	≥ 95 %
Density:	1.826±0.06 g/cm³ (Predicted)
Appearance:	Off-white solid

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Related Functional Groups

Halides

[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[199114-62-0]
2-(Chloromethyl)-3-methylquinazolin-4(3H)-one
[1431970-24-9]
2,2-Difluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]ethanamine hydrochloride
[1936054-65-7]
2,4-Dichloro-3,6-dimethylquinoline
[35989-28-7]
2,5-Dichloro-4-fluorobenzoic acid
[13294-71-8]
2-Bromo-2-butene, mixture of cis and trans

Indoles

[116952-58-0]
2-Ethoxycarbonyl-5-methoxytryptamine
[2170450-99-2]
4-Methyl-1-(phenylsulfonyl)-1H-indole-2-carbonitrile
[53995-78-1]
Ethyl 5,6-dichloro-1H-indole-2-carboxylate
[1375064-43-9]
Ethyl 3-Bromo-7-methylindole-1-carboxylate
[467458-46-4]
Ethyl 3-formyl-1H-indole-5-carboxylate
[927181-98-4]
Ethyl 3-formyl-1H-indole-7-carboxylate

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	241
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	224.94254
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	224.94254
Rotatable Bond Count:	0
Topological Polar Surface Area:	46.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8