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106-53-6

Basic Information
CAS No.: 106-53-6
Name: 4-Bromothiophenol
Molecular Structure:
Molecular Structure of 106-53-6 (4-Bromothiophenol)
Formula: C6H5BrS
Molecular Weight: 189.08
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-;
EINECS: 203-407-3
Density: 1.599 g/cm3
Melting Point: 73-76 °C
Boiling Point: 231.3 °C at 760 mmHg
Flash Point: 93.7 °C
Solubility:
Appearance: White to light yellow crystal powder
Hazard Symbols: ToxicTCorrosiveC
Risk Codes: R36/37/38   
Safety: 26-36
Transport Information: UN 3335
PSA: 38.80000
LogP: 2.73780
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Chemistry


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

Safety Profile

Hazard Codes: IrritantXi,ToxicT,CorrosiveC
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

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) .