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| CAS No.: | 119-80-2 |
|---|---|
| Name: | 2,2'-Dithiosalicylic acid |
| Molecular Structure: | |
|
|
|
| Formula: | C14H10O4S2 |
| Molecular Weight: | 306.363 |
| Synonyms: | 2, 2-Dithiobis[benzoic acid];Bis(o-carboxylphenyl) disulfide;Bis(2-carboxyphenyl) disulfide;Diphenyldisulfide-2,2-dicarboxylic acid;2,2-Dithiobis(benzoic acid);Benzoic acid, 2,2-dithiobis-;2,2-Dithiodi(benzoic acid);2-(2-carboxylatophenyl)disulfanylbenzoate;2-(2-carboxyphenyl)disulfanylbenzoic acid;Bis(o-carboxyphenyl) disulfide;2,2'-Dithiosalicy acid;Benzoic acid, 2,2-dithiodi-;2-[(2-Carboxyphenyl)disulfanyl]benzoic acid;2,2'-Dithio Dibenzoic Acid;2,2-Dithiosalicylic acid; |
| EINECS: | 204-352-8 |
| Density: | 1.53 g/cm3 |
| Melting Point: | 287-290 °C |
| Boiling Point: | 493.1 °C at 760 mmHg |
| Flash Point: | 252 °C |
| Solubility: | insoluble in water |
| Appearance: | off white to light yellow powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36-24/25 |
| PSA: | 125.20000 |
| LogP: | 3.88240 |
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| Conditions | Yield |
|---|---|
| With xenon difluoride In dichloromethane at 25℃; | 99% |
| With 1-oxa-2-azaspiro[2.5]octane In toluene | 99% |
| With polyvinylpolypyrrolidonium tribromide In ethanol at 20℃; for 1.5h; Green chemistry; | 99% |
| Conditions | Yield |
|---|---|
| With nickel(II) chloride hexahydrate; morpholinium morpholine-1-carbodithioate; potassium hydroxide In water; ethylene glycol; N,N-dimethyl-formamide at 130℃; | 96% |
| With potassium sulfide; nickel(II) chloride hexahydrate; acetylacetone; potassium hydroxide In water; N,N-dimethyl-formamide at 110℃; for 24h; | 95% |
| Conditions | Yield |
|---|---|
| With indium(III) oxide; ammonia; water; sulfur In ethanol at 60℃; Green chemistry; | 82% |
| With copper(l) iodide; tetra(n-butyl)ammonium hydroxide; sulfur In water at 80℃; for 48h; Inert atmosphere; Sealed tube; chemoselective reaction; |
| Conditions | Yield |
|---|---|
| With ozone; acetic acid at 16.84℃; | 26.7% |
| Conditions | Yield |
|---|---|
| With ozone; acetic acid at 16.84℃; | 14% |
- 19602-82-5
2,2'-dithiodibenzoic acid dichloride
- 119-80-2
2,2'-dithiobenzoic acid
| Conditions | Yield |
|---|---|
| bei laengerem Liegen an feuchter Luft; |
- 493-57-2
benzo-[b]thiophene-2,3-dione
A
- 16807-21-9
1,2-benzisothiazole-3-carboxamide
B
- 119-80-2
2,2'-dithiobenzoic acid
| Conditions | Yield |
|---|---|
| With ammonium hydroxide; dihydrogen peroxide |
| Conditions | Yield |
|---|---|
| With sodium ethanolate |
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- 12004-37-4STRONTIUM ALUMINATE
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- 402957-28-2Telaprevir
- 68-19-9Cyanocobalamin
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Chemistry
Molecule structure of 2,2'-Dithiodibenzoic acid (CAS NO.119-80-2):
IUPAC Name: 2-(2-Carboxyphenyl)disulfanylbenzoic acid
Molecular Weight: 306.3568 g/mol
Molecular Formula: C14H10O4S2
Density: 1.53 g/cm3
Melting Point: 287-290 °C(lit.)
Boiling Point: 493.1 °C at 760 mmHg
Flash Point: 252 °C
Index of Refraction: 1.735
Molar Refractivity: 80.04 cm3
Molar Volume: 199.3 cm3
Polarizability: 31.73×10-24 cm3
Surface Tension: 83.8 dyne/cm
Enthalpy of Vaporization: 80.06 kJ/mol
Vapour Pressure: 1.54E-10 mmHg at 25 °C
Water Solubility: insoluble
XLogP3-AA: 3.1
H-Bond Donor: 2
H-Bond Acceptor: 4
Rotatable Bond Count: 5
Exact Mass: 306.00205
MonoIsotopic Mass: 306.00205
Topological Polar Surface Area: 74.6
Heavy Atom Count: 20
Complexity: 327
Canonical SMILES: C1=CC=C(C(=C1)C(=O)O)SSC2=CC=CC=C2C(=O)O
InChI: InChI=1S/C14H10O4S2/c15-13(16)9-5-1-3-7-11(9)19-20-12-8-4-2-6-10(12)14(17)18/h1-8H,(H,15,16)(H,17,18)
InChIKey: LBEMXJWGHIEXRA-UHFFFAOYSA-N
EINECS: 204-352-8
Product Categories: pharmacetical; organic acids
Uses
2,2'-Dithiodibenzoic acid (CAS NO.119-80-2) is used for intermediates of medicine, dyes, fungicides, and photoinitiators.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 367mg/kg (367mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 21, Pg. 284, 1971. |
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
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.
WGK Germany: 3
RTECS: DG9660000
Hazard Note: Harmful / irritant
Specification
2,2'-Dithiodibenzoic acid (CAS NO.119-80-2) is also named as 2,2'-Dithiobis(benzoic acid) ; 2,2'-Dithiodibenzoesaeure ; 2,2'-Dithiodibenzoesaeure [German] ; 4-10-00-00279 (Beilstein Handbook Reference) ; AI3-15534 ; BRN 2221810 ; Bis(2-carboxyphenyl) disulfide ; Bis(o-carboxylphenyl) disulfide ; Bis(o-carboxyphenyl) disulfide ; Diphenyldisulfide-2,2'-dicarboxylic acid . 2,2'-Dithiodibenzoic acid is brown powder. 2,2'-Dithiodibenzoic acid is high toxic. It is flammable. It will produce toxic sulfur oxides fumes when buring. So the storage environment should be ventilate, low-temperature and dry. Keep 2,2'-Dithiodibenzoic acid separate from raw materials of food.