6-Bromoisoindolin-1-one - CAS 675109-26-9

Name: 6-Bromoisoindolin-1-one
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB044350
Product Name:	6-Bromoisoindolin-1-one
CAS:	675109-26-9
Synonyms:	6-bromo-2,3-dihydro-1H-isoindol-1-one

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	6-bromo-2,3-dihydroisoindol-1-one
Description:	It is an intermediate used in the preparation of isoindolone carboxamides with antioxidant activity.
Molecular Weight:	212.04
Molecular Formula:	C8H6BrNO
Canonical SMILES:	C1C2=C(C=C(C=C2)Br)C(=O)N1
InChI:	InChI=1S/C8H6BrNO/c9-6-2-1-5-4-10-8(11)7(5)3-6/h1-3H,4H2,(H,10,11)
InChI Key:	HYTCKZQYVIURAW-UHFFFAOYSA-N
Boiling Point:	431.7±45.0 °C (Predicted)
Purity:	≥ 95 %
Density:	1.666±0.06 g/cm³ (Predicted)

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Related Functional Groups

Halides

[1448610-48-7]C11H13BrO
1-(4-Bromo-3-methylphenyl)cyclobutanol
[333311-69-6]C12H12BrN3O2
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[111-85-3]C8H17Cl
1-Chlorooctane
[452-76-6]C7H6F2
2,4-Difluorotoluene
[73084-03-4]C11H18ClN3
2,4-di-tert-butyl-6-chloro-1,3,5-triazine
[35989-28-7]C7H3Cl2FO2
2,5-Dichloro-4-fluorobenzoic acid

Indolines

[5383-82-4]C15H9NO4
N-(4-Carboxyphenyl)phthalimide
[2759-12-8]C8H10N2
Indolin-7-amine
[56632-37-2]C9H10N2S
Indoline-1-carbothioamide
[1427475-17-9]C16H18N2
N-(3-Indolinylmethyl)benzylamine
[1176740-73-0]C16H17N
5-(2,6-Dimethylphenyl)indoline
[350683-40-8]C11H13NO2
Ethyl indoline-6-carboxylate

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (75%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (75%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	183
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	210.96328
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	210.96328
Rotatable Bond Count:	0
Topological Polar Surface Area:	29.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5