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| CAS No.: | 696-63-9 |
|---|---|
| Name: | 4-METHOXYBENZENETHIOL |
| Molecular Structure: | |
|
|
|
| Formula: | C7H8OS |
| Molecular Weight: | 140.206 |
| Synonyms: | Benzenethiol,p-methoxy- (6CI,7CI,8CI);4-Mercaptoanisole;4-Methoxybenzenethiol;4-Methoxyphenyl mercaptan;4-Methoxyphenylthiol;p-Mercaptoanisole;p-Methoxybenzenethiol;p-Methoxyphenyl mercaptan;p-Methoxyphenylthiol;p-Methoxythiophenol; |
| EINECS: | 211-799-2 |
| Density: | 1.112 g/cm3 |
| Melting Point: | 291.7-295.8 °C (decomp) |
| Boiling Point: | 224.9 °C at 760 mmHg |
| Flash Point: | 89.8 °C |
| Appearance: | Colorless light yellow liquid |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 36/37/38-22 |
| Safety: | 26-37/39 |
| Transport Information: | UN 2810 6.1/PG 3 |
| PSA: | 48.03000 |
| LogP: | 1.98390 |
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Chemistry
Molecular Structure of 4-Methoxythiophenol (CAS NO.696-63-9):
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IUPAC Name: 4-methoxybenzenethiol
Empirical Formula: C7H8OS
Molecular Weight: 140.2028
H bond acceptors: 1
H bond donors: 0
Freely Rotating Bonds: 2
Polar Surface Area: 34.53Å2
Index of Refraction: 1.565
Molar Refractivity: 41.1 cm3
Molar Volume: 126 cm3
Surface Tension: 37.7 dyne/cm
Density: 1.112 g/cm3
Flash Point: 89.8 °C
Enthalpy of Vaporization: 44.27 kJ/mol
Boiling Point: 224.9 °C at 760 mmHg
Vapour Pressure: 0.133 mmHg at 25°C
EINECS: 211-799-2
Sensitive: Stench
BRN: 1446910
Product Categories: Phenol&Thiophenol&Mercaptan; Phenoles and thiophenoles; Miscellaneous
InChI
InChI=1/C7H8OS/c1-8-6-2-4-7(9)5-3-6/h2-5,9H,1H3
Smiles
c1(ccc(S)cc1)OC
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 56mg/kg (56mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04701, |
Safety Profile
Hazard Codes: 
Xn,
Xi
Risk Statements: 20/21/22-36/37/38-22
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
R22:Harmful if swallowed.
Safety Statements: 26-36/37-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37:Wear suitable protective clothing and gloves.
S37/39:Wear suitable gloves and eye/face protection.
RIDADR: UN 2810 6.1/PG 3
WGK Germany: 3
RTECS: DC1800000
F: 10-13-23
Hazard Note: Harmful/Stench
HazardClass: Harmful/Stench
Specification
4-Methoxythiophenol , with CAS number of 696-63-9, can be called Benzenethiol,p-methoxy- (6CI,7CI,8CI) ; 4-Mercaptoanisole ; 4-Methoxyphenyl mercaptan ; p-Mercaptoanisole ; p-Methoxybenzenethiol ; p-Methoxyphenyl mercaptan ; p-Methoxyphenylthiol ; p-Methoxythiophenol . It is a colorless light yellow liquid.