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| CAS No.: | 25984-63-8 |
|---|---|
| Name: | 4-Hydroxythiobenzamide |
| Article Data: | 30 |
| Molecular Structure: | |
|
|
|
| Formula: | C7H7NOS |
| Molecular Weight: | 153.205 |
| Synonyms: | Benzamide,p-hydroxythio- (8CI);4-Hydroxybenzenecarbothioamide;4-Hydroxybenzenethiocarboxamide; |
| EINECS: | 674-712-0 |
| Density: | 1.339 g/cm3 |
| Melting Point: | 181-185℃ |
| Boiling Point: | 320.394 °C at 760 mmHg |
| Flash Point: | 147.57 °C |
| Appearance: | Grey white powder |
| Hazard Symbols: | Xi |
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 78.34000 |
| LogP: | 1.72670 |
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4-cyanophenol
- 25984-63-8
4-hydroxythiobenzamide
| Conditions | Yield |
|---|---|
| Stage #1: 4-cyanophenol With sodium hydrogensulfide In water at 20℃; for 0.5h; Stage #2: With hydrogen sulfide at 70℃; under 2068.65 - 2896.11 Torr; for 5.91667 - 6h; | 97.57% |
| With sodium monohydrogen sulfide x-hydrate; ammonium chloride In water; N,N-dimethyl-formamide at 40℃; for 22h; Product distribution / selectivity; | 94% |
| With sodium hydrogen sulfide; triethylamine hydrochloride; triethylamine In ethanol at 5 - 50℃; for 12h; Reagent/catalyst; Solvent; Temperature; | 92% |
- 699-06-9, 60221-52-5, 60221-53-6
4-hydroxybenzaldehyde oxime
- 25984-63-8
4-hydroxythiobenzamide
| Conditions | Yield |
|---|---|
| With tetraphosphorus decasulfide In toluene at 80 - 85℃; Reagent/catalyst; Temperature; Beckmann Rearrangement; | 91.3% |
| Conditions | Yield |
|---|---|
| In water; ethyl acetate | 87% |
- 619-57-8
p-hydroxybenzamide
- 25984-63-8
4-hydroxythiobenzamide
| Conditions | Yield |
|---|---|
| With Lawessons reagent In tetrahydrofuran at 20℃; for 6h; | 87% |
| With Lawessons reagent In 2-methyltetrahydrofuran at 0 - 30℃; for 12h; |
- 767-00-0
4-cyanophenol
- 298-06-6
O,O-Diethyl hydrogen phosphorodithioate
- 25984-63-8
4-hydroxythiobenzamide
| Conditions | Yield |
|---|---|
| In water at 80℃; for 1h; | 78% |
| Conditions | Yield |
|---|---|
| With polyphosphoric acid In water at 40 - 80℃; | |
| With hydrogenchloride In water at 60℃; for 2h; Time; Temperature; Green chemistry; |
- 123-08-0
4-hydroxy-benzaldehyde
- 25984-63-8
4-hydroxythiobenzamide
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: hydroxylamine hydrochloride; formic acid; sodium formate / 2 h / 105 °C / Green chemistry 2: hydrogenchloride / water / 2 h / 60 °C / Green chemistry View Scheme | |
| Multi-step reaction with 2 steps 1: sodium hydroxide; hydroxylamine hydrochloride / water; methanol / 20 - 25 °C 2: tetraphosphorus decasulfide / toluene / 80 - 85 °C View Scheme |
- 25984-63-8
4-hydroxythiobenzamide
- 41104-10-3
acetic acid 4-(2-bromoacetyl)phenyl ester
| Conditions | Yield |
|---|---|
| In acetonitrile for 1h; Reflux; | 99% |
- 25984-63-8
4-hydroxythiobenzamide
- 609-15-4
ethyl 2-chloro-3-oxo-butyrate
- 161797-99-5
(2-(4-hydroxyphenyl)-4-methylthiazole-5-carboxylic acid ethyl ester)
| Conditions | Yield |
|---|---|
| In ethanol at 65 - 70℃; for 3h; | 98% |
| In spirit at 60 - 65℃; for 2.5h; | 90.7% |
| In isopropyl alcohol at 55 - 85℃; for 3h; | 58% |
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Chemistry
IUPAC Name: 4-[Amino(sulfanyl)methylidene]cyclohexa-2,5-dien-1-one
Synonyms of 4-Hydroxythiobenzamide (CAS NO.25984-63-8): 4-Hydroxybenzene-1-carbothioamide
CAS NO: 25984-63-8
Molecular Formula: C7H7NOS
Molecular Weight: 153.20
Molecular Structure: 
H bond acceptors: 2
H bond donors: 3
Freely Rotating Bonds: 2
Polar Surface Area: 78.34 Å2
Index of Refraction: 1.702
Molar Refractivity: 44.325 cm3
Molar Volume: 114.433 cm3
Surface Tension: 76.294 dyne/cm
Density: 1.339 g/cm3
Flash Point: 147.57 °C
Enthalpy of Vaporization: 58.443 kJ/mol
Boiling Point: 320.394 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C
SMILES: S=C(N)c1ccc(O)cc1
InChI: InChI=1/C7H7NOS/c8-7(10)5-1-3-6(9)4-2-5/h1-4,9H,(H2,8,10)
InChIKey: VDTNKXSVUGXUOJ-UHFFFAOYAV
Std. InChI: InChI=1S/C7H7NOS/c8-7(10)5-1-3-6(9)4-2-5/h1-4,9H,(H2,8,10)
Std. InChIKey: VDTNKXSVUGXUOJ-UHFFFAOYSA-N
Safety Profile
Safety Information about 4-Hydroxythiobenzamide (CAS NO.25984-63-8):
Risk Statements: 20/21/22-36/37/38
R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
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