4-Ethynylaniline - CAS 14235-81-5

Catalog:	BB009363
Product Name:	4-Ethynylaniline
CAS:	14235-81-5
Synonyms:	4-ethynylaniline

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	4-ethynylaniline
Description:	4-Ethynylaniline (CAS# 14235-81-5) is a useful research chemical for organic synthesis and other chemical processes.
Molecular Weight:	117.15
Molecular Formula:	C8H7N
Canonical SMILES:	C#CC1=CC=C(C=C1)N
InChI:	InChI=1S/C8H7N/c1-2-7-3-5-8(9)6-4-7/h1,3-6H,9H2
InChI Key:	JXYITCJMBRETQX-UHFFFAOYSA-N
Boiling Point:	223.7 °C at 760 mmHg
Melting Point:	98-102 °C (dec.)
Purity:	> 98.0 % (LC)
Density:	1.05 g/cm³
Appearance:	Yellow powder
Storage:	Keep in dark place. Sealed in dry. Room temperature.
MDL:	MFCD00168824
LogP:	1.83130

Publication Number	Title	Priority Date
CN-113467187-A	Resin composition, resin film and display device	20210727
CN-113502505-A	Azide porphyrin ligand, metalloporphyrin/carbon composite material and application of water electrolysis	20210716
CN-113429346-A	Fluorescent probe for detecting polarity change of lysosome and preparation method and application thereof	20210621
CN-113354511-A	Synthesis method of gem-1, 3-eneyne compound	20210609
CN-113292561-A	Compound with dipyrrolopyridine structure, preparation method and medical application	20210522

PMID	Publication Date	Title	Journal
21503989	20110523	Regular acyclic and macrocyclic [AB] oligomers by formation of push-pull chromophores in the chain-growth step	Chemistry (Weinheim an der Bergstrasse, Germany)
16294359	20060201	Density functional studies of dicobalt octacarbonyl-mediated azobenzene formation from 4-ethynylaniline	Chemistry (Weinheim an der Bergstrasse, Germany)

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Related Functional Groups

Alkynes

[5272-36-6]
3-(Trimethylsilyl)propargyl alcohol
[627-41-8]
Methyl propargyl ether
[66800-19-9]
5-Octyn-1-ol tetrahydropyranol ether
[926-55-6]
2-Methyl-1-penten-3-yne
[374794-87-3]
tert-Butyl 4-hydroxy-4-(3-hydroxyprop-1-yn-1-yl)piperidine-1-carboxylate
[17573-94-3]
4-Ethynyl-N,N-dimethylaniline

Amines and Anilines

[1232060-85-3]
(3R,4R)-4-Amino-3-methoxytetrahydropyran
[1550-50-1]
1,1,2,2-Tetrafluoro-N,N-dimethylethanamine
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[932890-93-2]
1-{4-[(2,4-Dichlorobenzyl)oxy]-3-ethoxyphenyl}methanamine
[1082066-00-9]
1-Cyclopropyl-1H-pyrazole-4-carbaldehyde
[42150-24-3]
2-(4-Pyrazolyl)ethylamine

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:	123
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	117.057849228
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	117.057849228
Rotatable Bond Count:	1
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3