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Cas Database |
| Name |
4-Cyanophenol |
EINECS | 212-175-2 |
| CAS No. | 767-00-0 | Density | 1.22 g/cm3 |
| PSA | 44.02000 | LogP | 1.26388 |
| Solubility | slightly soluble in water | Melting Point |
110-113 °C(lit.) |
| Formula | C7H5NO | Boiling Point | 281.2 °C at 760 mmHg |
| Molecular Weight | 119.123 | Flash Point | 123.9 °C |
| Transport Information | N/A | Appearance | white crystalline powder or chips |
| Safety | 26-36-45-24/25 | Risk Codes | 22-36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xn,  Xi
|
| Synonyms |
Benzonitrile,4-hydroxy-;Benzonitrile,p-hydroxy- (6CI,8CI);4-Hydroxybenzonitrile;NSC 400524;p-Cyanophenol;p-Hydroxybenzonitrile; |
Article Data | 515 |
4-Cyanophenol Synthetic route
- 13031-41-9
4-cyanophenyl acetate
- 767-00-0
4-cyanophenol
| Conditions | Yield |
|---|---|
| With 1-methyl-pyrrolidin-2-one; potassium carbonate; thiophenol for 0.25h; Hydrolysis; Heating; | 100% |
| With potassium hydroxide In ethanol for 0.333333h; Heating; | 88% |
| With sodium tetrahydroborate; cobalt(II) chloride In ethanol at 0 - 25℃; for 10h; | 83% |
| With N-butylamine; Tetraethylene glycol dimethyl ether In chlorobenzene at 25℃; Rate constant; efficacy of glyme catalysis, other glymes; |
| Conditions | Yield |
|---|---|
| With 1-methyl-pyrrolidin-2-one; hydroxylamine hydrochloride at 100℃; for 0.25h; Condensation; microwave irradiation; | 100% |
| With oxygen; copper; ammonium chloride In pyridine at 60℃; for 24h; | 99% |
| With sodium azide; trifluorormethanesulfonic acid In acetonitrile at 20℃; for 0.0333333h; Schmidt reaction; | 99% |
| Conditions | Yield |
|---|---|
| With calcium hydride; diphenyldisulfane In 1-methyl-pyrrolidin-2-one at 220℃; for 0.5h; | 100% |
| With sodium methylate; 1-dodecylthiol In N,N-dimethyl-formamide at 100℃; for 1h; | 97% |
| With cyclohexa-1,4-diene; 3,6-bis(dimethylamino)-9H-carbazole; caesium carbonate In dimethyl sulfoxide at 23℃; for 48h; Inert atmosphere; Schlenk technique; Irradiation; | 94% |
- 33148-47-9
4-allyloxy-benzonitrile
- 767-00-0
4-cyanophenol
| Conditions | Yield |
|---|---|
| With calcium hydride; diphenyldisulfane In 1-methyl-pyrrolidin-2-one at 220℃; for 0.5h; | 100% |
| With tetrabutylammonium tetrafluoroborate; tris(2,2'-bipyridine)nickel(II) tetrafluoroborate In N,N-dimethyl-formamide Ambient temperature; electrolysis: Mg rod anode, carbon fibre cathode, const. current 60 mA; | 99% |
| With aniline; (ϖ-allyl)palladium triflate based catalyst at 30℃; for 0.333333h; | 99% |
- 60221-52-5
(E)-4-hydroxybenzaldehyde oxime
- 767-00-0
4-cyanophenol
| Conditions | Yield |
|---|---|
| With 1,3,5-trichloro-2,4,6-triazine In N,N-dimethyl-formamide at 20℃; for 4h; Beckmann rearrangement; | 100% |
| With [ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2; 4 A molecular sieve In acetonitrile at 80℃; for 0.5h; | 99% |
| for 0.0583333h; Dehydration; Irradiation; | 82% |
- 16513-72-7
4-cyanophenyl benzoate
- 767-00-0
4-cyanophenol
| Conditions | Yield |
|---|---|
| With 1-methyl-pyrrolidin-2-one; potassium carbonate; thiophenol for 0.25h; Hydrolysis; debenzoylation; Heating; | 100% |
| With potassium fluoride; thiophenol In 1-methyl-pyrrolidin-2-one at 100℃; for 1h; | 85% |
| With sodium; diphenyldisulfane In 1-methyl-pyrrolidin-2-one at 90℃; for 0.25h; | 84% |
| With potassium carbonate In 1-methyl-pyrrolidin-2-one for 0.333333h; Heating; | 80% |
- 13031-41-9
4-cyanophenyl acetate
- 137-07-5
2-amino-benzenethiol
A
- 120-75-2
2-Methylbenzothiazole
B
- 767-00-0
4-cyanophenol
| Conditions | Yield |
|---|---|
| With 1-methyl-pyrrolidin-2-one; potassium carbonate at 100℃; for 0.5h; Hydrolysis; cyclization; | A n/a B 100% |
- 137-07-5
2-amino-benzenethiol
- 180143-65-1
4-cyanophenyl pivalate
A
- 17626-88-9
2-(tert-butyl)benzo[d]thiazole
B
- 767-00-0
4-cyanophenol
| Conditions | Yield |
|---|---|
| With 1-methyl-pyrrolidin-2-one; potassium carbonate at 100℃; for 1.5h; Hydrolysis; cyclization; | A n/a B 100% |
- 52805-36-4
4-benzyloxybenzonitrile
- 767-00-0
4-cyanophenol
| Conditions | Yield |
|---|---|
| With calcium hydride; diphenyldisulfane In 1-methyl-pyrrolidin-2-one at 220℃; for 0.5h; | 100% |
| With hydrogen; palladium on activated charcoal; ethylenediamine In tetrahydrofuran at 20℃; for 24h; atmospheric pressure; | 100% |
| With cyclohexa-1,4-diene; 3,6-bis(dimethylamino)-9H-carbazole; caesium carbonate In dimethyl sulfoxide at 23℃; for 18h; Inert atmosphere; Schlenk technique; Irradiation; | 99% |
| Conditions | Yield |
|---|---|
| With nickel dibromide In 1-methyl-pyrrolidin-2-one at 200℃; under 10343 Torr; for 0.333333h; microwave irradiation; | 99% |
4-Cyanophenol Chemical Properties
Molecular formula: C7H5NO
Molecular Weight: 119.12
EINECS: 212-175-2
Melting point: 110-113 °C(lit.)
Water Solubility: Slightly soluble
Index of Refraction: 1.59
Density: 1.22 g/cm3
Flash Point: 123.9 °C
Enthalpy of Vaporization: 54.09 kJ/mol
Boiling Point: 281.2 °C at 760 mmHg
Vapour Pressure: 0.00212 mmHg at 25 °C
Structure of 4-Cyanophenol (CAS NO.767-00-0):
IUPAC Name: 4-Hydroxybenzonitrile
Product Category of 4-Cyanophenol (CAS NO.767-00-0): Liquid Crystal intermediates;Aromatic Nitriles;Phenoles and thiophenoles;Building Blocks for Liquid Crystals;Functional Materials;Benzoic acid Series;Pesticides&Metabolites
4-Cyanophenol Uses
4-Cyanophenol (CAS NO.767-00-0) has been used for intermediate of liquid crystals.
4-Cyanophenol Toxicity Data With Reference
| 1. | orl-mus LD50:450 mg/kg | APFRAD Annales Pharmaceutiques Francaises. 41 (1983),391. | ||
| 2. | ipr-mus LD50:200 mg/kg | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) AD691-490 . |
4-Cyanophenol (CAS NO.767-00-0) hasn't been listed as a carcinogen by NTP, IARC, ACGIH, or CA Prop 65. And the toxicological properties have not been fully investigated.
4-Cyanophenol Consensus Reports
Cyanide and its compounds are on the Community Right-To-Know List. Reported in EPA TSCA Inventory.
4-Cyanophenol Safety Profile
Poison by intraperitoneal route. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx and CN−. See also NITRILES.
Hazard Codes: 
Xn,Xi
Risk Statements:
22: Harmful if swallowed
36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements:
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
24/25: Avoid contact with skin and eyes
4-Cyanophenol Specification
4-Cyanophenol , its cas register number is 767-00-0. It also can be called 4-Hydroxybenzonitrile ; and Benzonitrile, 4-hydroxy- . It is hazardous, so the first aid measures and others should be known. Such as: When on the skin: first, should flush skin with plenty of water immediately for at least 15 minutes while removing contaminated clothing. Secondly, get medical aid. Or in the eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Then get medical aid soon. While, it's inhaled: Remove from exposure and move to fresh air immediately. Give artificial respiration while not breathing. When breathing is difficult, give oxygen. And as soon as to get medical aid. Then you have the ingesting of the product: Wash mouth out with water, and get medical aid immediately.
In addition, 4-Cyanophenol (CAS NO.767-00-0) could be stable under normal temperatures and pressures. It is not compatible with strong oxidizing agents, and you must not take it with incompatible materials. And also prevent it to broken down into hazardous decomposition products: nitrogen oxides, carbon monoxide, carbon dioxide.
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