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Cas Database |
| Name |
4-Bromothiophenol |
EINECS | 203-407-3 |
| CAS No. | 106-53-6 | Density | 1.599 g/cm3 |
| PSA | 38.80000 | LogP | 2.73780 |
| Solubility | Slightly soluble in water | Melting Point |
73-76 °C |
| Formula | C6H5BrS | Boiling Point | 231.3 °C at 760 mmHg |
| Molecular Weight | 189.076 | Flash Point | 93.7 °C |
| Transport Information | UN 3335 | Appearance | White to light yellow crystal powder |
| Safety | 26-36 | Risk Codes | R36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
  T C
|
| Synonyms |
Benzenethiol,p-bromo- (6CI,7CI,8CI);1-Bromo-4-mercaptobenzene;4-Bromobenzenethiol;4-Bromophenylthiol;NSC 229563;NSC 32018;p-Bromobenzenethiol;p-Bromophenyl thiol;p-Bromothiophenol;Benzenethiol, 4-bromo-; |
Article Data | 80 |
4-Bromothiophenol Chemical Properties
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IUPAC Name: 4-Bromobenzenethiol
Canonical SMILES: C1=CC(=CC=C1S)Br
InChI: InChI=1S/C6H5BrS/c7-5-1-3-6(8)4-2-5/h1-4,8H
InChIKey: FTBCOQFMQSTCQQ-UHFFFAOYSA-N
Molecular Weight: 189.0729 [g/mol]
Molecular Formula: C6H5BrS
XLogP3: 3.2
EINECS: 203-407-3
Melting Point: 73-76 °C(lit.)
Index of Refraction: 1.63
Molar Refractivity: 42.11 cm3
Molar Volume: 118.2 cm3
Surface Tension: 45 dyne/cm
Density: 1.599 g/cm3
Flash Point: 93.7 °C
Enthalpy of Vaporization: 44.89 kJ/mol
Boiling Point: 231.3 °C at 760 mmHg
Vapour Pressure: 0.0954 mmHg at 25 °C
Appearance: White to light yellow crystal powder
storage temp.: Refrigerator
Sensitive: Air Sensitive
Product Categories of 4-Bromothiophenol (CAS NO.106-53-6): Phenyls & Phenyl-Het; Phenol & Thiophenol & Mercaptan ;Miscellaneous; Phenyls & Phenyl-Het
4-Bromothiophenol Safety Profile
Hazard Codes: 
Xi,
T,
C
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
RIDADR: 2923
WGK Germany: 3
F: 10-13-23
Hazard Note: Irritant
TSCA: T
HazardClass: 8
PackingGroup of 4-Bromothiophenol (CAS NO.106-53-6): III
4-Bromothiophenol Specification
4-Bromothiophenol (CAS NO.106-53-6), its Synonyms are 4-Bromobenzenethiol ; p-Bromobenzenethiol ; p-Bromophenyl thiol ; p-Bromothiophenol ; Benzenethiol, 4-bromo- ; Benzenethiol, p-bromo- (8CI) .
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