Products Categories
| CAS No.: | 1074-36-8 |
|---|---|
| Name: | 4-Mercaptobenzoic acid |
| Article Data: | 39 |
| Molecular Structure: | |
|
|
|
| Formula: | C7H6O2S |
| Molecular Weight: | 154.189 |
| Synonyms: | Benzoicacid, p-mercapto- (7CI,8CI);4-Carboxybenzenethiol;4-Carboxythiophenol;NSC 32022;p-Carboxybenzenethiol;p-Mercaptobenzoicacid; |
| EINECS: | 205-704-3 |
| Density: | 1.346 g/cm3 |
| Melting Point: | 215-224 °C(lit.) |
| Boiling Point: | 314.278 °C at 760 mmHg |
| Flash Point: | 143.871 °C |
| Appearance: | Cream colour crystalline solid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 76.10000 |
| LogP: | 1.67350 |
- 144851-82-1METHYL2-AMINO-3-FLUOROBENZOATE
- 483366-12-7(2S,4R)-1-Boc-2-cyano-4-hydroxypyrrolidine
- 173606-50-3BOC-10-AMINODECANOIC ACID
- 361456-36-2METHYL (R)-(+)-ISOCYANATO-3-PHENYLPROPI&
- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
- 81281-59-67-Benzylideneaminotheophylline
- 50288-62-5threo-Phenyl-2-piperidyl acetamide
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 47087-37-6Z-D-Glu-OMe
- 1219080-61-1IMIDAZOLE-2-BORONIC ACID
| Conditions | Yield |
|---|---|
| With sodiumsulfide nonahydrate; copper; ethane-1,2-dithiol In dimethyl sulfoxide at 90℃; for 12h; Inert atmosphere; Sealed tube; | 99% |
| With sodiumsulfide nonahydrate; copper; ethane-1,2-dithiol In dimethyl sulfoxide at 100℃; for 20h; Inert atmosphere; Green chemistry; | 99% |
| With copper(ll) sulfate pentahydrate; ethane-1,2-dithiol; potassium hydroxide In water; dimethyl sulfoxide at 90℃; for 20h; Inert atmosphere; | 94% |
| With copper(l) iodide; thiourea; L-proline; sodium t-butanolate In dimethyl sulfoxide at 90℃; for 24h; Inert atmosphere; | 90% |
| Stage #1: 4-iodobenzoic acid With copper(l) iodide; potassium carbonate; sulfur In N,N-dimethyl-formamide at 90℃; for 16h; Inert atmosphere; Stage #2: With sodium tetrahydroborate In N,N-dimethyl-formamide at 40℃; Inert atmosphere; Cooling with ice; | 87% |
- 13511-93-8
S-(4-carbomethoxyphenyl) N,N-dimethylthiocarbamate
- 1074-36-8
4-mercaptobenzoic acid
| Conditions | Yield |
|---|---|
| With sodium hydroxide In methanol; water for 3h; Heating; | 97% |
| With potassium hydroxide In methanol; water | 2.7 g |
| With potassium hydroxide In methanol |
- 24197-62-4
S-acetyl-4-mercaptobenzoic acid
- 1074-36-8
4-mercaptobenzoic acid
| Conditions | Yield |
|---|---|
| With sodium thiomethoxide In methanol at 23℃; for 0.5h; | 94% |
- 53339-53-0
4-mercaptobenzyl alcohol
- 1074-36-8
4-mercaptobenzoic acid
| Conditions | Yield |
|---|---|
| With diethylene glycol dimethyl ether at 70℃; for 0.5h; Sonication; | 94% |
| With oxygen at 120℃; for 16h; Green chemistry; | 84% |
| Conditions | Yield |
|---|---|
| With copper(ll) sulfate pentahydrate; ethane-1,2-dithiol; potassium hydroxide In water; dimethyl sulfoxide at 110℃; for 20h; Inert atmosphere; | 91% |
| Multi-step reaction with 2 steps 1: copper(l) iodide; tetra(n-butyl)ammonium hydroxide; sulfur / water / 48 h / 80 °C / Inert atmosphere; Sealed tube 2: hydrogenchloride; zinc / water / Inert atmosphere; Cooling with ice View Scheme |
- 1074-36-8
4-mercaptobenzoic acid
| Conditions | Yield |
|---|---|
| With potassium hydroxide In methanol at 20℃; for 18h; | 78% |
- 35190-68-2
dimethyl 4,4'-dithiobisbenzoate
- 1074-36-8
4-mercaptobenzoic acid
| Conditions | Yield |
|---|---|
| With acetic acid; zinc for 4h; Heating; | 42% |
| Conditions | Yield |
|---|---|
| With acetic acid; zinc for 4h; Heating; | 38% |
| With triphenylphosphine In 1,4-dioxane; water at 30℃; Rate constant; | |
| With sodium carbonate; aluminium |
- 10130-89-9
p-carboxyphenylsulfonyl chloride
- 1074-36-8
4-mercaptobenzoic acid
| Conditions | Yield |
|---|---|
| With acetic acid; zinc at 90 - 100℃; | |
| With acetic acid; zinc |
| Conditions | Yield |
|---|---|
| With hydrogenchloride; water; sodium nitrite Erwaermen des Reaktionsprodukts mit aethanol. Kalilauge; | |
| With hydrogenchloride; sodium hydroxide; sodium nitrite In water; acetic acid |
What can I do for you?
Get Best Price
Specification
The 4-Mercaptobenzoic acid, with the CAS registry number 1074-36-8, is a kind of light yellow crystalline solid. And its product categories are including Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Phenol&Thiophenol&Mercaptan; Organic acids; Aromatics Compounds; Aromatics; Sulfur & Selenium Compounds; Organic Building Blocks; Sulfur Compounds; Thiols/Mercaptans.
The physical properties of this chemical are as below: (1)ACD/LogP: 2.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.12; (4)ACD/LogD (pH 7.4): -0.79; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.47; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 51.6; (13)Index of Refraction: 1.641; (14)Molar Refractivity: 41.35 cm3; (15)Molar Volume: 114.5 cm3; (16)Polarizability: 16.39 ×10-24 cm3; (17)Surface Tension: 59.2 dyne/cm; (18)Density: 1.345 g/cm3; (19)Flash Point: 134.4 °C; (20)Enthalpy of Vaporization: 56.87 kJ/mol; (21)Boiling Point: 298.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000563 mmHg at 25°C; (23)Exact Mass: 154.00885; (24)MonoIsotopic Mass: 154.00885; (25)Topological Polar Surface Area: 38.3; (26)Heavy Atom Count: 10; (27)Complexity: 128.
When you are dealing with this chemical, you should be much more cautious. For being among the irritant chemicals, it is irritating to eyes, respiratory system and skin and may cause inflammation to the skin or other mucous membranes. Therefore, you should wear suitable protective clothing, and if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C1=CC(=CC=C1C(=O)O)S
(2)InChI: InChI=1S/C7H6O2S/c8-7(9)5-1-3-6(10)4-2-5/h1-4,10H,(H,8,9)
(3)InChIKey: LMJXSOYPAOSIPZ-UHFFFAOYSA-N