3-Chloro-4-methoxybenzaldehyde - CAS 4903-09-7

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

Catalog:	BB026628
Product Name:	3-Chloro-4-methoxybenzaldehyde
CAS:	4903-09-7
Synonyms:	3-chloro-4-methoxybenzaldehyde

Technical Data

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Computed Properties

IUPAC Name:	3-chloro-4-methoxybenzaldehyde
Description:	3-Chloro-4-methoxybenzaldehyde (CAS# 4903-09-7) is a useful research chemical.
Molecular Weight:	170.59
Molecular Formula:	C8H7ClO2
Canonical SMILES:	COC1=C(C=C(C=C1)C=O)Cl
InChI:	InChI=1S/C8H7ClO2/c1-11-8-3-2-6(5-10)4-7(8)9/h2-5H,1H3
InChI Key:	WYVGYYIZXPXHAZ-UHFFFAOYSA-N
Boiling Point:	269.1 °C at 760 mmHg
Melting Point:	56-60 °C (lit.)
Purity:	95 %
Density:	1.244 g/cm³
MDL:	MFCD00016601
LogP:	2.16110

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]C11H21ClO
Undecanoyl chloride
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid

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

Publication Number	Title	Priority Date
KR-20210057300-A	Novel compound for preventing or treating neuroinflammatory disease and pharmaceutical composition including the same	20191112
CN-110632207-A	Method for identifying mold based on volatile gas components and evolution trend thereof	20191010
KR-102184707-B1	Method for odor reduction of edible insects through microbial fermentation	20181213
KR-20200073367-A	Method for odor reduction of edible insects through microbial fermentation	20181213
US-2020078336-A1	6-amino-2,4-dihydropyrano [2,3-c] pyrazoles and methods of use	20170329

PMID	Publication Date	Title	Journal
17418630	20071101	FT-Raman and infrared spectra and vibrational assignments for 3-chloro-4-methoxybenzaldehyde, as supported by ab initio, hybrid density functional theory and normal coordinate calculations	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
16233188	20020101	Biosynthesis of p-anisaldehyde by the white-rot basidiomycete Pleurotus ostreatus	Journal of bioscience and bioengineering

Complexity:	138
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	170.0134572
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	170.0134572
Rotatable Bond Count:	2
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2