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| CAS No.: | 123-08-0 |
|---|---|
| Name: | 4-Hydroxybenzaldehyde |
| Article Data: | 602 |
| Molecular Structure: | |
|
|
|
| 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 |
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| 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% |
| 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% |
| 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% |
| 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 | Yield |
|---|---|
| With sodium iodide; cerium(III) chloride In acetonitrile at 40℃; for 6h; | 100% |
| 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 | 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% |
| 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 | Yield |
|---|---|
| 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 | 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% |
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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: 
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.