2-Ethynyl-4-fluoroaniline - CAS 887903-03-9

Catalog:	BB039206
Product Name:	2-Ethynyl-4-fluoroaniline
CAS:	887903-03-9
Synonyms:	2-ethynyl-4-fluoroaniline; 2-ethynyl-4-fluoroaniline

Technical Data

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Computed Properties

IUPAC Name:	2-ethynyl-4-fluoroaniline
Description:	2-Ethynyl-4-fluoroaniline (CAS# 887903-03-9 ) is a useful research chemical.
Molecular Weight:	135.14
Molecular Formula:	C8H6FN
Canonical SMILES:	C#CC1=C(C=CC(=C1)F)N
InChI:	InChI=1S/C8H6FN/c1-2-6-5-7(9)3-4-8(6)10/h1,3-5H,10H2
InChI Key:	PYMOBOZQTNLAHX-UHFFFAOYSA-N
LogP:	1.97040

Publication Number	Title	Priority Date
WO-2020127960-A1	Disubstituted alkyne derivatives	20181221
KR-20200067073-A	Substituted or unsubstituted 4-bromo-2-fluoroquinoline, method of the same and 2,4 substituted quinoline compounds containing them	20181203
KR-102242238-B1	Substituted or unsubstituted 4-bromo-2-fluoroquinoline, method of the same and 2,4 substituted quinoline compounds containing them	20181203
CN-109384683-A	A kind of preparation method of 2- amino-5-fluorine acetophenone	20181112
CN-109384683-B	Preparation method of 2-amino-5-fluoroacetophenone	20181112

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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+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	158
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	135.048427358
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	135.048427358
Rotatable Bond Count:	1
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6