CAS No.123-08-0,4-Hydroxybenzaldehyde Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	123-08-0
Name:	4-Hydroxybenzaldehyde
Article Data:	602

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:	Xi
Risk Codes:	36/37/38
Safety:	26-36-24/25-37/39
PSA:	37.30000
LogP:	1.20470

Synthetic route

: 104-88-1
4-chlorobenzaldehyde

: 123-08-0
4-hydroxy-benzaldehyde

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
With air; potassium carbonate at 20℃; for 12h;	A 99% B 11%

...Expand

: 87199-17-5
4-formylphenylboronic acid,

: 123-08-0
4-hydroxy-benzaldehyde

Conditions

Conditions	Yield
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%

Raw Materials

501-36-0

556-02-5

64-17-5

108-95-2

Downstream Products

938-45-4

99-93-4

150-76-5

143773-73-3

619-57-8

767-00-0

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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: Irritant Xi
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.