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Cas Database |
| Name |
3,4-Dichlorothiophenol |
EINECS | 227-485-3 |
| CAS No. | 5858-17-3 | Density | 1.421 g/cm3 |
| PSA | 38.80000 | LogP | 3.28210 |
| Solubility | N/A | Melting Point |
21 °C |
| Formula | C6H4Cl2S | Boiling Point | 255.6 ºC at 760 mmHg |
| Molecular Weight | 179.07 | Flash Point | 113 ºC |
| Transport Information | UN 2810 | Appearance | Colorless Liquid |
| Safety | 26-37/39 36 | Risk Codes | R36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
  T
|
| Synonyms |
3,4-Dichlorobenzenethiol;3,4-Dichlorophenyl mercaptan;3,4-Dichlorothiophenol; |
Article Data | 16 |
3,4-Dichlorothiophenol Chemical Properties
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IUPAC Name: 3,4-Dichlorobenzenethiol
Canonical SMILES: C1=CC(=C(C=C1S)Cl)Cl
InChI: InChI=1S/C6H4Cl2S/c7-5-2-1-4(9)3-6(5)8/h1-3,9H
InChIKey: HNJZDPKMMZXSKT-UHFFFAOYSA-N
Molecular Weight: 179.06696 [g/mol]
Molecular Formula: C6H4Cl2S
XLogP3: 3.5
EINECS: 227-485-3
Sensitive: Stench
Index of Refraction: 1.619
Molar Refractivity: 44.21 cm3
Molar Volume: 125.9 cm3
Surface Tension: 45.7 dyne/cm
Density: 1.421 g/cm3
Flash Point: 99.2 °C
Enthalpy of Vaporization: 47.32 kJ/mol
Boiling Point: 255.6 °C at 760 mmHg
Vapour Pressure: 0.0259 mmHg at 25 °C
Product Categories of Benzenethiol,3,4-dichloro- (CAS NO.5858-17-3): Phenol&Thiophenol & Mercaptan; Phenoles and thiophenoles; Organic Building Blocks; Sulfur Compounds; Thiols / Mercaptans
3,4-Dichlorothiophenol Safety Profile
Hazard Codes: 
Xi,
T
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S37/39:Wear suitable gloves and eye/face protection.
RIDADR: UN 2810 6.1/PG 3
WGK Germany: 3
Hazard Note: Toxic/Stench
PackingGroup of Benzenethiol,3,4-dichloro- (CAS NO.5858-17-3): II
3,4-Dichlorothiophenol Specification
Benzenethiol,3,4-dichloro- (CAS NO.5858-17-3), its Synonyms are 3,4-Dichlorobenzenethiol ; 3,4-Dichlorophenyl mercaptan .
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