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Cas Database |
| Name |
2-Hydroxy-4-methoxybenzophenone-5-sulfonic acid |
EINECS | 223-772-2 |
| CAS No. | 4065-45-6 | Density | 1.449 g/cm3 |
| PSA | 109.28000 | LogP | 2.95930 |
| Solubility | 300.92g/L at 25℃ | Melting Point |
170 °C |
| Formula | C14H12O6S | Boiling Point | 0°C |
| Molecular Weight | 308.312 | Flash Point | 0°C |
| Transport Information | N/A | Appearance | white to yellowish powder |
| Safety | 26-36-37/39-36/37/39-27 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
1-Phenol-4-sulfonicacid, 2-benzoyl-5-methoxy- (6CI);2-Hydroxy-4-methoxy-5-sulfobenzophenone;2-Methoxy-4-hydroxy-5-benzoylbenzenesulfonic acid;3-Benzoyl-4-hydroxy-6-methoxybenzenesulfonic acid;5-Benzoyl-4-hydroxy-2-methoxybenzenesulfonic acid;Benzophenone 4;Escalol 577;MS 40;NSC 60584;Seesorb 101S;Spectra-Sorb UV 284;Sulisobenzone; |
Article Data | 14 |
2-Hydroxy-4-methoxybenzophenone-5-sulfonic acid Synthetic route
| Conditions | Yield |
|---|---|
| With sulfur trioxide; acetic acid In 1,2-dichloro-ethane at 25℃; for 3h; Inert atmosphere; | 98.82% |
| With chlorosulfonic acid In ethyl acetate at 45℃; Temperature; | 96% |
| With chlorosulfonic acid In phthalic acid dimethyl ester | |
| With chlorosulfonic acid at 25℃; for 20h; Inert atmosphere; Autoclave; |
- 4065-45-6
2-hydroxy-4-methoxybenzophenone-5-sulfonic acid
| Conditions | Yield |
|---|---|
| In methanol at 35℃; for 0.333333h; UVB irradiation; |
- 4065-45-6
2-hydroxy-4-methoxybenzophenone-5-sulfonic acid
- 108-90-7
chlorobenzene
- 817203-48-8
C14H11O6S(1-)*C18H12Cl3S(1+)
| Conditions | Yield |
|---|---|
| Stage #1: chlorobenzene With thionyl chloride; aluminum (III) chloride at 20 - 150℃; for 5h; Stage #2: With water at 60℃; for 1h; Stage #3: 2-hydroxy-4-methoxybenzophenone-5-sulfonic acid In water for 4h; | 79% |
- 4065-45-6
2-hydroxy-4-methoxybenzophenone-5-sulfonic acid
- 158547-83-2
3,5-dichloro-2-hydroxy-4-methoxybenzophenone
| Conditions | Yield |
|---|---|
| With trichloroisocyanuric acid; sodium hydrogencarbonate In water | 33% |
- 4065-45-6
2-hydroxy-4-methoxybenzophenone-5-sulfonic acid
- 1631050-95-7
5-benzoyl-3-chloro-4-hydroxy-2-methoxybenzenesulfonic acid
| Conditions | Yield |
|---|---|
| With hydrogenchloride; sodium hypochlorite In water for 2h; Cooling with ice; | 18% |
- 4065-45-6
2-hydroxy-4-methoxybenzophenone-5-sulfonic acid
- 1609-47-8
diethyl dicarbonate
- 19337-04-3
2--4-methoxy-5-sulfo-benzophenon
| Conditions | Yield |
|---|---|
| With sodium hydroxide Heating; |
- 4065-45-6
2-hydroxy-4-methoxybenzophenone-5-sulfonic acid
- 121715-18-2
5-benzoyl-4-hydroxy-2-methoxy-benzenesulfonyl chloride
- 4065-45-6
2-hydroxy-4-methoxybenzophenone-5-sulfonic acid
| Conditions | Yield |
|---|---|
| Stage #1: 2-hydroxy-4-methoxybenzophenone-5-sulfonic acid With sodium hydrogencarbonate In 1-methoxy-2-propanol; water Stage #2: 2-[2-[2-chloro-3-[(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-1,3,3-trimethyl-3H-indolium bromide In 1-methoxy-2-propanol; water at 20℃; for 2.16667h; In the dark; |
- 4065-45-6
2-hydroxy-4-methoxybenzophenone-5-sulfonic acid
- 99-09-2
3-nitro-aniline
- 1243203-31-7
1-[2-hydroxy-4-methoxy-5-(3-nitrophenylazo)phenyl]-1-phenylmethanone
| Conditions | Yield |
|---|---|
| Stage #1: 3-nitro-aniline With hydrogenchloride In water at 70℃; for 0.5h; Stage #2: With sodium nitrite In water at 0 - 5℃; Stage #3: 2-hydroxy-4-methoxybenzophenone-5-sulfonic acid regioselective reaction; Further stages; | 10.73 %Chromat. |
2-Hydroxy-4-methoxybenzophenone-5-sulfonic acid Chemical Properties
Molecular structure of Sulisobenzone (CAS NO.4065-45-6) is:
Product Name: Sulisobenzone
CAS Registry Number: 4065-45-6
IUPAC Name: 5-benzoyl-4-hydroxy-2-methoxybenzenesulfonic acid
Molecular Weight: 308.30648 [g/mol]
Molecular Formula: C14H12O6S
XLogP3-AA: 2.2
H-Bond Donor: 2
H-Bond Acceptor: 6
EINECS: 223-772-2
Melting Point: 170 °C
Surface Tension: 59.7 dyne/cm
Density: 1.449 g/cm3
Product Categories: Industrial/Fine Chemicals;Aromatic Benzophenones & Derivatives (substituted);Organic acids
2-Hydroxy-4-methoxybenzophenone-5-sulfonic acid Uses
Sulisobenzone (CAS NO.4065-45-6) can be used in some sunscreens which protects the skin from damage by UVB and short-wave UVA ultraviolet light.
2-Hydroxy-4-methoxybenzophenone-5-sulfonic acid Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LD50 | oral | 3530mg/kg (3530mg/kg) | Journal of the American College of Toxicology. Vol. 2(5), Pg. 35, 1983. |
2-Hydroxy-4-methoxybenzophenone-5-sulfonic acid Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-37/39-36/37/39-27
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S27:Take off immediately all contaminated clothing.
WGK Germany: 1
RTECS: DB5044300
2-Hydroxy-4-methoxybenzophenone-5-sulfonic acid Specification
Sulisobenzone , its cas register number is 4065-45-6. It also can be called 2-Hydroxy-4-methoxybenzophenone-5-sulfonic acid ; 2-Benzoyl-5-methoxy-1-phenol-4-sulfonic acid ; Spectra-Sorb UV 284 ; Uvistat 1121 ; 1-Phenol-4-sulfonic acid, 2-benzoyl-5-methoxy- (6CI) ; 5-Benzoyl-4-hydroxy-2-methoxybenzenesulfonic acid .It is a white to yellowish powder.
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