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

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

[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[199114-62-0]
2-(Chloromethyl)-3-methylquinazolin-4(3H)-one
[452-76-6]
2,4-Difluorotoluene

Indolines

[1176740-73-0]
5-(2,6-Dimethylphenyl)indoline
[143262-20-8]
N-Boc-indoline-7-carboxylic acid
[61394-50-1]
5-Cyanooxindole
[54574-00-4]
3-4-(diethylamino)-2-ethoxyphenyl-3-(2-methyl-1-octyl-1H-indol-3-yl)-1(3H)-Isobenzofuranone
[913240-15-0]
6-Fluoro-1-methylindolin-2-one
[142199-90-4]
1(3H)-Isobenzofuranone, 3-[4-(dimethylamino)-2-methylphenyl]-3-(1-ethyl-2-methyl-1H-indol-3-yl)-

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