3-Hydroxybenzaldehyde - CAS 100-83-4

Catalog:	BB000353
Product Name:	3-Hydroxybenzaldehyde
CAS:	100-83-4
Synonyms:	3-hydroxybenzaldehyde

Technical Data

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Computed Properties

IUPAC Name:	3-hydroxybenzaldehyde
Description:	3-Hydroxybenzaldehyde (CAS# 100-83-4) is a compound useful in organic synthesis.
Molecular Weight:	122.12
Molecular Formula:	C7H6O2
Canonical SMILES:	C1=CC(=CC(=C1)O)C=O
InChI:	InChI=1S/C7H6O2/c8-5-6-2-1-3-7(9)4-6/h1-5,9H
InChI Key:	IAVREABSGIHHMO-UHFFFAOYSA-N
Boiling Point:	191 °C (50 mmHg)
Purity:	98 %
Density:	1.226 g/cm 3
Appearance:	Off-white solid
MDL:	MFCD00003368
LogP:	1.20470
Vapor Pressure:	0.01 [mmHg]

Publication Number	Title	Priority Date
CN-113372595-A	Rare earth metal complexing polyvinyl alcohol film and preparation method thereof	20210731
CN-113480764-A	Preparation method of enhanced polyvinyl alcohol antibacterial film and product thereof	20210731
CN-113461609-A	Sulfatase-responsive AIE nano probe and preparation method and application thereof	20210729
CN-113461841-A	Heat-resistant PVB resin and preparation method thereof	20210702
CN-113341651-A	Photoresist and patterning method	20210625

PMID	Publication Date	Title	Journal
22832010	20121101	New 1,3,4-bisthiadiazolines: synthesis, characterization and antimicrobial evaluations	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
22798754	20120701	3-[(E)-(Pyridin-3-yl-imino)-meth-yl]phenol	Acta crystallographica. Section E, Structure reports online
22719588	20120601	N'-(3-Hy-droxy-benzyl-idene)-4-methyl-benzohydrazide	Acta crystallographica. Section E, Structure reports online
22192417	20120215	Growth and characterization of organic material 3-hydroxybenzaldehyde single crystal by modified vertical Bridgman technique	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
22204492	20120112	Thermochemical data and additivity group values for ten species of o-xylene low-temperature oxidation mechanism	The journal of physical chemistry. A

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GHS Hazard Statement:	H315 (92.98%): 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

Complexity:	101
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	122.036779430
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	122.036779430
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4