IUPAC Name: 2-Bromobenzenethiol
Canonical SMILES: C1=CC=C(C(=C1)S)Br
InChI: InChI=1S/C6H5BrS/c7-5-3-1-2-4-6(5)8/h1-4,8H
InChIKey: YUQUNWNSQDULTI-UHFFFAOYSA-N
Molecular Weight: 189.0729 [g/mol]
Molecular Formula: C6H5BrS
XLogP3-AA: 2.8
EINECS: 228-665-4
storage temp.: −20 °C
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: 95.5 °C
Enthalpy of Vaporization: 45.86 kJ/mol
Boiling Point: 241.1 °C at 760 mmHg
Vapour Pressure: 0.0568 mmHg at 25 °C
Sensitive: Stench
Appearance: clear yellow liquid
Product Categories of Benzenethiol, 2-bromo- (CAS NO.6320-02-1): Phenol & Thiophenol & Mercaptan
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-7/9
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S7:Keep container tightly closed.
S9:Keep container in a well-ventilated place.
RIDADR: UN2922
WGK Germany: 3
F: 10-13-23
Hazard Note: Irritant/Stench
TSCA: T
HazardClass: 8
PackingGroup of Benzenethiol, 2-bromo- (CAS NO.6320-02-1): III
Benzenethiol, 2-bromo- (CAS NO.6320-02-1), its Synonyms are o-Bromobenzenethiol ; o-Bromothiophenol ; 2-Bromobenzenethiol .
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