4-Bromoindoline - CAS 86626-38-2

Catalog:	BB038009
Product Name:	4-Bromoindoline
CAS:	86626-38-2
Synonyms:	4-bromo-2,3-dihydro-1H-indole; 4-bromo-2,3-dihydro-1H-indole

Technical Data

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Computed Properties

IUPAC Name:	4-bromo-2,3-dihydro-1H-indole
Description:	4-Bromoindoline (CAS# 86626-38-2) is a useful research chemical.
Molecular Weight:	198.06
Molecular Formula:	C8H8BrN
Canonical SMILES:	C1CNC2=C1C(=CC=C2)Br
InChI:	InChI=1S/C8H8BrN/c9-7-2-1-3-8-6(7)4-5-10-8/h1-3,10H,4-5H2
InChI Key:	YCJCSDSXVHEBRU-UHFFFAOYSA-N
Boiling Point:	278.845 °C at 760 mmHg
Density:	1.515 g/cm³
LogP:	2.55510

Publication Number	Title	Priority Date
CN-111732528-A	A kind ofNProcess for preparing (E) -arylindoline derivatives	20200731
CN-111732528-B	Preparation method of N-aryl indoline derivative	20200731
CN-112812113-A	Immunomodulatory compounds, compositions and uses thereof	20191115
WO-2021093817-A1	Immunomodulatory compounds, composition and application thereof	20191115
WO-2021084765-A1	4-aminobut-2-enamide derivatives and salts thereof	20191031

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Related Functional Groups

Indolines

[56632-37-2]
Indoline-1-carbothioamide
[32372-82-0]
Isoindoline hydrochloride
[341988-36-1]
Methyl indoline-6-carboxylate
[1187928-05-7]
Methyl indoline-6-carboxylate hydrochloride
[885272-46-8]
N-Boc-4-bromoindoline
[143262-20-8]
N-Boc-indoline-7-carboxylic acid

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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

Complexity:	126
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	196.98401
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	196.98401
Rotatable Bond Count:	0
Topological Polar Surface Area:	12 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6