4-Amino-6-fluorochromane - CAS 238764-22-2

Catalog:	BB018227
Product Name:	4-Amino-6-fluorochromane
CAS:	238764-22-2
Synonyms:	6-fluoro-3,4-dihydro-2H-1-benzopyran-4-amine; 6-fluoro-3,4-dihydro-2H-chromen-4-amine

Technical Data

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Computed Properties

IUPAC Name:	6-fluoro-3,4-dihydro-2H-chromen-4-amine
Description:	4-Amino-6-fluorochromane (CAS# 238764-22-2) is a useful research chemical.
Molecular Weight:	167.18
Molecular Formula:	C9H10FNO
Canonical SMILES:	C1COC2=C(C1N)C=C(C=C2)F
InChI:	InChI=1S/C9H10FNO/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5,8H,3-4,11H2
InChI Key:	WVQYSVLMDHXHOV-UHFFFAOYSA-N
Boiling Point:	229.76 °C at 760 mmHg
Density:	1.202 g/cm³
LogP:	2.30830

Publication Number	Title	Priority Date
AU-2016339404-A1	Oxa spiro derivative, preparation method therefor, and applications thereof in medicines	20151015
CA-3000761-A1	Oxa spiro derivative, preparation method therefor, and applications thereof in medicines	20151015
EP-3354649-A1	Oxa spiro derivative, preparation method therefor, and applications thereof in medicines	20151015
EP-3354649-B1	Oxa spiro derivative, preparation method therefor, and applications thereof in medicines	20151015
JP-2018534257-A	Oxaspiro derivative, process for its production and its application in medicine	20151015

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Related Functional Groups

Benzopyrans

[493-05-0]
Isochroman
[238764-22-2]
4-Amino-6-fluorochromane
[51069-75-1]
4-Chloro-6-methyl-2H-chromen-2-one
[75704-71-1]
3-Amino-6-methoxy-2H-chromen-2-one
[34818-49-0]
1-Methoxyisochroman
[256229-12-6]
3-(Aminomethyl)isochroman

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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, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	165
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	167.074642105
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	167.074642105
Rotatable Bond Count:	0
Topological Polar Surface Area:	35.2 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1