3-Chloro-4-hydroxybenzaldehyde - CAS 2420-16-8

Name: 3-Chloro-4-hydroxybenzaldehyde
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB018367
Product Name:	3-Chloro-4-hydroxybenzaldehyde
CAS:	2420-16-8
Synonyms:	3-chloro-4-hydroxybenzaldehyde

Technical Data

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Computed Properties

IUPAC Name:	3-chloro-4-hydroxybenzaldehyde
Description:	3-Chloro-4-hydroxybenzaldehyde (CAS# 2420-16-8) is a useful research chemical.
Molecular Weight:	156.57
Molecular Formula:	C7H5ClO2
Canonical SMILES:	C1=CC(=C(C=C1C=O)Cl)O
InChI:	InChI=1S/C7H5ClO2/c8-6-3-5(4-9)1-2-7(6)10/h1-4,10H
InChI Key:	VGSOCYWCRMXQAB-UHFFFAOYSA-N
Boiling Point:	251.1 °C at 760 mmHg
Melting Point:	145-147 °C (lit.)
Purity:	97 %
Density:	1.404 g/cm³
Appearance:	Powder
MDL:	MFCD00016981
LogP:	1.85810

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[1016519-61-1]C8H10N2O2
2-(Methyl-2-pyridylamino)acetic Acid

GHS Hazard Statement:	H302 (89.36%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
CN-113307779-A	Heterocyclic substituted biphenyl compound, preparation method and application	20210525
CN-113200831-A	Preparation method of 3-methoxy-4-hydroxybenzaldehyde	20210331
CN-110878052-A	FXR agonist-containing compound and preparation method and application thereof	20191211
CN-110878052-B	FXR agonist-containing compound and preparation method and application thereof	20191211
DE-102019218788-A1	Multi-tonal hair coloring process in three steps	20191203

PMID	Publication Date	Title	Journal
22412574	20120301	2-Chloro-4-{(E)-[(4-chloro-phen-yl)imino]-meth-yl}phenol	Acta crystallographica. Section E, Structure reports online
20884284	20101201	Hydrogen bond, dimerization and vibrational modes in 2-chloro-3-hydroxybenzaldehyde and 3-chloro-4-hydroxybenzaldehyde from vibrational and ab initio studies	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

Complexity:	127
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	155.9978071
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	155.9978071
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9