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1H-Benzimidazole-2-Thiol
[CAS# 134469-07-1]

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Identification
Classification Chemical reagent >> Organic reagent >> Thiol salt
Name 1H-Benzimidazole-2-Thiol
Synonyms 2-Benzimidazolethiol; 1,3-dihydrobenzoimidazole-2-thione; 1,3-Dihydro-benzoimidazole-2-thione
Molecular Formula C7H6N2S
Molecular Weight 150.20
CAS Registry Number 134469-07-1
SMILES C1=CC=C2C(=C1)NC(=N2)S
InChI 1S/C7H6N2S/c10-7-8-5-3-1-2-4-6(5)9-7/h1-4H,(H2,8,9,10)
InChIKey YHMYGUUIMTVXNW-UHFFFAOYSA-N
Properties
Density 1.4±0.1g/cm3 (Cal.)
1.42 (Expl.)
Melting point 301-305°C (Expl.)
Boiling point 332.1±25.0°C at 760 mmHg (Cal.)
Flash point 154.7±23.2°C (Cal.)
250°C (Expl.)
Refractive index 1.771 (Cal.)
solubility Soluble in alcohol
Safety Data
Safety Code S36;S60  Details
Risk Code R22  Details
Hazard Symbol symbol  X  Details
Transport Information UN2811
Safety Description DANGER: POISON, irritates skin, eyes, lungs
WARNING: Irritates skin and eyes, harmful if swallowed
Toxic/Harmful/Irritant/Stench/Store under Argon/Keep Cold
IRRITANT, REFRIGERATE, STENCH, STORED UNDER ARGON
Safety glasses, adequate ventilation.
References
(1) Ruiting Liu, Xiaoqing Li, Houcai Zhang, Linhong Weng and Xigeng Zhou. Synthesis and controlled hydrolysis of organolanthanide complexes with mono- and dianionic benzimidazole-2-thiolate ligands, Dalton Trans., 2010, 39, 11053.
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