Methyl 4-formylbenzoate - CAS 1571-08-0

Catalog:	BB011292
Product Name:	Methyl 4-formylbenzoate
CAS:	1571-08-0
Synonyms:	methyl 4-formylbenzoate

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	methyl 4-formylbenzoate
Description:	Methyl 4-formylbenzoate (CAS# 1571-08-0) is a benzoic acid derivative with antioxidant activity.
Molecular Weight:	164.16
Molecular Formula:	C9H8O3
Canonical SMILES:	COC(=O)C1=CC=C(C=C1)C=O
InChI:	InChI=1S/C9H8O3/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-6H,1H3
InChI Key:	FEIOASZZURHTHB-UHFFFAOYSA-N
Boiling Point:	265 °C
Melting Point:	140 to 144 °F
Purity:	≥ 99 %
Density:	1.2 g/cm³
Solubility:	less than 1 mg/mL at 72 °F
Appearance:	Needles (in water) or white powder.
MDL:	MFCD00006950
LogP:	1.28570
Vapor Pressure:	0.0099 [mmHg]

Publication Number	Title	Priority Date
CN-113461510-A	Aromatic acid compound and preparation method thereof	20210804
CN-113372238-A	Imine compound and its synthesis method and use	20210630
CN-113307814-A	Water-soluble carboxyl N-dislocation porphyrin and preparation method and application thereof	20210618
CN-113376240-A	Fabric-based microfluidic chip for detecting Pb based on CeMOF labeled DNA aptamer2+Method (2)	20210611
CN-113416297-A	Ultra-high molecular weight anion exchange membrane and preparation method and application thereof	20210608

PMID	Publication Date	Title	Journal
22219780	20111101	Bis{μ-(E)-methyl 4-[(2-carbamothio-ylhydrazinyl-idene)meth-yl]benzoate-κS:S}bis-[iodido(triphenyl-phosphane-κP)copper(I)]	Acta crystallographica. Section E, Structure reports online
21645778	20110715	4-Carbomethoxybenzaldehyde as a highly sensitive pre-column fluorescence derivatization reagent for 9,10-phenanthrenequinone	Talanta
20966949	20101101	N-silyl oxyketene imines are underused yet highly versatile reagents for catalytic asymmetric synthesis	Nature chemistry
21588958	20101009	Methyl 4-(1H-benzimidazol-2-yl)benzoate trihydrate	Acta crystallographica. Section E, Structure reports online
20444255	20100505	Shoot differentiation from protocorm callus cultures of Vanilla planifolia (Orchidaceae): proteomic and metabolic responses at early stage	BMC plant biology

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Related Functional Groups

Carbonyl Compounds

[55441-25-3]
1-(2-Cyanophenyl)urea
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[104496-91-5]
2-(Pyridin-2-ylthio)acetohydrazide
[328270-02-6]
2-Amino-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

GHS Hazard Statement:	H302+H312+H332 (20%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
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:	169
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	164.047344113
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	164.047344113
Rotatable Bond Count:	3
Topological Polar Surface Area:	43.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7