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123-08-0

Basic Information
CAS No.: 123-08-0
Name: p-Hydroxybenzaldehyde
Article Data: 602
Cas Database
Molecular Structure:
Molecular Structure of 123-08-0 (p-Hydroxybenzaldehyde)
Formula: C7H6O2
Molecular Weight: 122.123
Synonyms: Benzaldehyde,p-hydroxy- (8CI);4-Formylphenol;4-Hydroxybenzaldehyde;NSC 2127;Parahydroxybenzaldehyde;p-Formylphenol;Benzaldehyde,4-hydroxy-;p-Oxybenzaldehyde;
EINECS: 204-599-1
Density: 1.226 g/cm3
Melting Point: 112-116°C(lit.)
Boiling Point: 246.6 °C at 760 mmHg
Flash Point: 101.3 °C
Solubility: 13 g/L (30 °C) in water
Appearance: yellow to light brown crystalline powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36-24/25-37/39
Transport Information: N/A
PSA: 37.30000
LogP: 1.20470
Synthetic route
104-88-1

4-chlorobenzaldehyde

123-08-0

4-hydroxy-benzaldehyde

Conditions
ConditionsYield
With potassium hydroxide; tris-(dibenzylideneacetone)dipalladium(0); tert-butyl XPhos In 1,4-dioxane; water at 80℃; for 18h;100%
With [(2-di-tert-butylphosphino-3-methoxy-6-methyl-2,4,6-triisopropyl-1,1-biphenyl)-2-(2-aminobiphenyl)]palladium(II) methanesulfonate; caesium carbonate; Benzaldoxime In N,N-dimethyl-formamide at 80℃; for 18h; Inert atmosphere; Glovebox; Sealed tube;99%
With trans-di(μ-acetato)bis[o-(di-o-tolyl-phosphino)benzyl]dipalladium(II); C29H45Pt; potassium carbonate In water; N,N-dimethyl-formamide at 115℃; for 0.5h; Inert atmosphere; Microwave irradiation;93%
878-00-2

4-formylphenyl acetate

123-08-0

4-hydroxy-benzaldehyde

Conditions
ConditionsYield
With ammonium acetate In methanol at 20℃; for 3h;100%
With water; sodium acetate In ethanol for 5h; Reflux;98%
With aluminum oxide In neat (no solvent) at 75℃; for 0.05h; microwave irradiation;92%
623-05-2

(4-hydroxyphenyl)methanol

123-08-0

4-hydroxy-benzaldehyde

Conditions
ConditionsYield
With Oxone In ethanol at 20℃; for 2h; Catalytic behavior;100%
With tert.-butylhydroperoxide; V/SiO2 In decane; tert-butyl alcohol at 25℃; for 3h;99.1%
With titanium(IV) oxide; oxygen at 29.84℃; under 760.051 Torr; for 6h; Sealed tube; Irradiation;99%
6515-21-5

4-methoxymethoxy-benzaldehyde

123-08-0

4-hydroxy-benzaldehyde

Conditions
ConditionsYield
sodium hydrogen sulfate; silica gel In dichloromethane at 20℃; for 1.5h;100%
With carbon tetrabromide In isopropyl alcohol for 1.5h; Heating;97%
With tin(IV) chloride In dichloromethane at 0℃; for 0.0333333h;95%
57699-45-3

p-tert-butoxybenzaldehyde

123-08-0

4-hydroxy-benzaldehyde

Conditions
ConditionsYield
With sodium iodide; cerium(III) chloride In acetonitrile at 40℃; for 6h;100%
4397-53-9

p-benzyloxybenzaldehyde

123-08-0

4-hydroxy-benzaldehyde

Conditions
ConditionsYield
With iron(III) chloride on silica In neat (no solvent) at 80℃; for 0.5h;99%
With pentamethylbenzene,; boron trichloride In dichloromethane at -78℃; for 0.333333h;99%
With palladium diacetate; sodium hydride In N,N-dimethyl acetamide at 25℃; for 1.5h; Inert atmosphere;92%
40663-68-1

4-(2-propenyloxy)benzaldehyde

123-08-0

4-hydroxy-benzaldehyde

Conditions
ConditionsYield
With aniline; (ϖ-allyl)palladium triflate based catalyst at 30℃; for 0.333333h;99%
With ammonium formate; palladium on activated charcoal In methanol for 0.5h; Heating;98%
With palladium diacetate; sodium hydride In N,N-dimethyl acetamide at 20℃; for 4h; Inert atmosphere;96%
120743-99-9

p-[(tert-butyldimethylsilyl)oxy]benzaldehyde

Cs2CO3

Cs2CO3

123-08-0

4-hydroxy-benzaldehyde

Conditions
ConditionsYield
In water; N,N-dimethyl-formamide at 20℃; for 1h;99%
623-05-2

(4-hydroxyphenyl)methanol

100-51-6

benzyl alcohol

A

100-52-7

benzaldehyde

B

123-08-0

4-hydroxy-benzaldehyde

Conditions
ConditionsYield
With air; potassium carbonate at 20℃; for 12h;A 99%
B 11%
87199-17-5

4-formylphenylboronic acid,

123-08-0

4-hydroxy-benzaldehyde

Conditions
ConditionsYield
With copper(II) ferrite; water; sodium hydroxide at 40℃; for 24h; Green chemistry;99%
With N-ethyl-N,N-diisopropylamine In water; acetonitrile at 20℃; for 48h; Reagent/catalyst; Irradiation; Green chemistry;99%
With N-ethyl-N,N-diisopropylamine In water; acetonitrile for 48h; Irradiation;99%
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  • p-Hydroxybenzaldehyde CAS 123-08-0 4-Hydroxybenzaldehyde CAS no 123-08-0  P-Hydroxy Benzaldehyde

  • Casno:

    123-08-0

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    123-08-0

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    123-08-0

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Chemistry

Molecule structure of p-Hydroxybenzaldehyde (CAS NO.123-08-0):

IUPAC Name: 4-Hydroxybenzaldehyde 
Molecular Weight: 122.12134 g/mol
Molecular Formula: C7H6O2 
Melting Point: 112-116 °C(lit.)
Index of Refraction: 1.618
Molar Refractivity: 34.88 cm3
Molar Volume: 99.5 cm3
Surface Tension: 52 dyne/cm
Density: 1.226 g/cm3
Flash Point: 101.3 °C
Enthalpy of Vaporization: 50.33 kJ/mol
Boiling Point: 246.6 °C at 760 mmHg
Vapour Pressure: 0.0171 mmHg at 25 °C 
Storage Temp.: Store at 2-8 °C
Water Solubility: 13 g/L (30 °C)
Sensitive: Air Sensitive
XLogP3: 1.4
H-Bond Donor: 1
H-Bond Acceptor: 2
Rotatable Bond Count: 1
Tautomer Count: 4
Exact Mass: 122.036779
MonoIsotopic Mass: 122.036779
Topological Polar Surface Area: 37.3
Heavy Atom Count: 9
Canonical SMILES: C1=CC(=CC=C1C=O)O
InChI: InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H
InChIKey: RGHHSNMVTDWUBI-UHFFFAOYSA-N
EINECS: 204-599-1
Product Categories: Aromatic Aldehydes & Derivatives (substituted);Benzaldehyde (Building Blocks for Liquid Crystals);Bifunctional Compounds (Building Blocks for Liquid Crystals);Building Blocks for Liquid Crystals;Functional Materials;Phenols (Building Blocks for Liquid Crystals);Aldehydes;C7;Carbonyl Compounds;Alphabetical Listings;Flavors and Fragrances;G-H

Uses

 p-Hydroxybenzaldehyde (CAS NO.123-08-0) is commonly used as an important intermediate of pesticides. And it's also used for the synthesis of organic compounds and medicine.

Toxicity Data With Reference

1.    

sce-hmn:lym 1 mmol/L

    MUREAV    Mutation Research. 206 (1988),17.
2.    

ipr-mus LD50:500 mg/kg

    NTIS**    National Technical Information Service . (Springfield, VA 22161)(Formerly U.S. Clearinghouse for Scientific and Technical Information) AD277-689 .

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-24/25-37/39 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing. 
S24/25:Avoid contact with skin and eyes. 
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany: 2
RTECS: CU6475000
Hazard Note: Irritant/Air Sensitive
HS Code: 29124900
Moderately toxic by intraperitoneal route. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes.

Specification

 p-Hydroxybenzaldehyde (CAS NO.123-08-0) is also named as 4-Formylphenol ; 4-Hydroxybenzaldehyde ; AI3-15366 ; BRN 0471352 ; CCRIS 8911 ; NSC 2127 ; Parahydroxybenzaldehyde ; UNII-O1738X3Y38 ; USAF M-6 ; p-Formylphenol ; p-Oxybenzaldehyde . p-Hydroxybenzaldehyde (CAS NO.123-08-0) is yellow to light brown crystalline powder with aromatic odor.

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