5-Chloro-3-fluoro-2-hydroxybenzaldehyde - CAS 394-96-7

Name: 5-Chloro-3-fluoro-2-hydroxybenzaldehyde
Brand: BOC Sciences
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Catalog:	BB024001
Product Name:	5-Chloro-3-fluoro-2-hydroxybenzaldehyde
CAS:	394-96-7
Synonyms:	5-chloro-3-fluoro-2-hydroxybenzaldehyde; 5-chloro-3-fluoro-2-hydroxybenzaldehyde

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-chloro-3-fluoro-2-hydroxybenzaldehyde
Description:	5-Chloro-3-fluoro-2-hydroxybenzaldehyde (CAS# 394-96-7) is a useful research chemical.
Molecular Weight:	174.56
Molecular Formula:	C7H4ClFO2
Canonical SMILES:	C1=C(C=C(C(=C1F)O)C=O)Cl
InChI:	InChI=1S/C7H4ClFO2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-3,11H
InChI Key:	JTMDXYDKAJYWAV-UHFFFAOYSA-N
LogP:	1.99720

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[956439-56-8]C6H5N3O6
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
US-2021163454-A1	Small molecule inhibitors of ebola and lassa fever viruses and methods of use	20170908
US-10562897-B2	Substituted 3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,6-diones as gamma secretase modulators	20140116
US-2018319797-A1	Novel substituted pyrido-piperazinone derivatives as gamma secretase modulators	20140116
EP-2945944-B1	Novel substituted pyrido-piperazinone derivatives as gamma secretase modulators	20130117
US-10246454-B2	Substituted 3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,6-diones as gamma secretase modulators	20130117

Complexity:	153
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	173.9883852
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	173.9883852
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3