8.14674

2-Mercaptobenzothiazole

for synthesis

• Synonym(e): 2-Mercaptobenzothiazole
• Empirische Formel (Hill-System): C₇H₅NS₂
• CAS-Nummer: 149-30-4
• Molekulargewicht: 167.25
• UNSPSC Code: 12352105
• EC Index Number: 205-736-8
• NACRES: NA.22
• MDL number: MFCD00005781
• Assay: ≥97.0% (acidimetric)
• Form: solid

Eigenschaften

• vapor pressure: <0.000003 hPa ( 25 °C)
• Quality Segment: 200
• assay: ≥97.0% (acidimetric)
• form: solid
• autoignition temp.: 465 °C
• potency: 1680 mg/kg LD₅₀, oral (Rat), >7940 mg/kg LD₅₀, skin (Rabbit)
• expl. lim.: 15 % (v/v)
• pH: 7 (25 °C, 0.12 g/L in H₂O)
• bp: >260 °C (decomposes)
• mp: 180-183 °C
• transition temp: flash point 243 °C
• solubility: 0.12 g/L
• density: 1.42 g/cm³ at 20 °C
• bulk density: 390 kg/m³
• storage temp.: 2-30°C
• SMILES string: [s]1c2c([nH][c]1=S)cccc2
• InChI: 1S/C7H5NS2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)
• InChI key: YXIWHUQXZSMYRE-UHFFFAOYSA-N

Beschreibung

Application

<ul>
<li><strong>DFT studies of 2-mercaptobenzothiazole and 2-mercaptobenzimidazole as corrosion inhibitors for copper:</strong> This work explores the adsorption of MBT and MBI on Cu(111) using DFT studies, highlighting its applications in corrosion inhibition ().</li> </ul>

Analysis Note

Assay (acidimetric): ≥ 97.0 %
Melting range (lower value): ≥ 176 °C
Melting range (upper value): ≤ 181 °C
Identity (IR): passes test

Sicherheitshinweise

• pictograms: GHS07,GHS09
• signalword: Warning
• pcodes: P261 - P272 - P273 - P280 - P302 + P352 - P333 + P313
• Hazard Classifications: Aquatic Acute 1 - Aquatic Chronic 1 - Skin Sens. 1
• Lagerklasse: 11 - Combustible Solids
• wgk: WGK 2
• flash_point_f: 392.0 °F - closed cup
• flash_point_c: 200 °C - closed cup
• hcodes: H317,H410