4-(Thiophen-2-yl)aniline - CAS 70010-48-9

Catalog:	BB034045
Product Name:	4-(Thiophen-2-yl)aniline
CAS:	70010-48-9
Synonyms:	4-thiophen-2-ylaniline

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Computed Properties

IUPAC Name:	4-thiophen-2-ylaniline
Description:	4-(Thiophen-2-yl)aniline (CAS# 70010-48-9) is a useful research chemical compound.
Molecular Weight:	175.25
Molecular Formula:	C10H9NS
Canonical SMILES:	C1=CSC(=C1)C2=CC=C(C=C2)N
InChI:	InChI=1S/C10H9NS/c11-9-5-3-8(4-6-9)10-2-1-7-12-10/h1-7H,11H2
InChI Key:	WPNWHSQJRALLBJ-UHFFFAOYSA-N
Boiling Point:	307 °C at 760 mmHg
Purity:	95 %
Density:	1.196 g/cm³
Appearance:	White to brown solid
MDL:	MFCD01224064
LogP:	3.57850

Publication Number	Title	Priority Date
CN-110194776-A	A kind of synthetic method of Rui Lugeli	20190627
CN-110003065-A	A kind of method of the complex-catalyzed molecular oxygen oxidation synthesis in water asymmetry sulfide of water-soluble transition metal	20190404
WO-2020152453-A1	Organic thin film transistor with protic group on source and drain electrodes for determining presence and/or concentration of ester	20190121
WO-2020087063-A1	Compounds and methods to attenuate tumor progression and metastasis	20181026
EP-3870160-A1	Compounds and methods to attenuate tumor progression and metastasis	20181026

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GHS Hazard Statement:	H301 (90.48%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	141
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	175.04557046
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	175.04557046
Rotatable Bond Count:	1
Topological Polar Surface Area:	54.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1