4-Chloroindoline - CAS 41910-64-9

Catalog:	BB024993
Product Name:	4-Chloroindoline
CAS:	41910-64-9
Synonyms:	4-chloro-2,3-dihydro-1H-indole; 4-chloro-2,3-dihydro-1H-indole

Technical Data

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Computed Properties

IUPAC Name:	4-chloro-2,3-dihydro-1H-indole
Description:	4-Chloroindoline (CAS# 41910-64-9) is a useful research chemical.
Molecular Weight:	153.61
Molecular Formula:	C8H8ClN
Canonical SMILES:	C1CNC2=C1C(=CC=C2)Cl
InChI:	InChI=1S/C8H8ClN/c9-7-2-1-3-8-6(7)4-5-10-8/h1-3,10H,4-5H2
InChI Key:	BBHMZHDPVNXFMI-UHFFFAOYSA-N
Boiling Point:	260 °C at 760 mmHg
Density:	1.214 g/cm³
Appearance:	Liquid
MDL:	MFCD07371635
LogP:	2.44600

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
WO-2021000935-A1	Hpk1 inhibitors and uses thereof	20190704
CN-108440373-B	Iron-catalyzed cyanoalkylindoline and preparation method thereof	20180323
CN-108383875-B	Silver-catalyzed 3-phosphonomethylindoline and preparation method thereof	20180322

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, 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:	153.0345270
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	153.0345270
Rotatable Bond Count:	0
Topological Polar Surface Area:	12 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6