583-39-1

Name 2-Mercaptobenzimidazole
CAS 583-39-1
EINECS(EC#) 209-502-6
Molecular Formula C7H6N2S
MDL Number MFCD00466107
Molecular Weight 150.2
MOL File 583-39-1.mol

Chemical Properties

Appearance yellow or white crystals
Melting point  300-304 °C (lit.)
Boiling point  270.6±23.0 °C(Predicted)
density  1.42
vapor pressure  0-0.001Pa at 25℃
refractive index  1.5500 (estimate)
Fp  >250°C
storage temp.  2-8°C
solubility  0.3g/l
form  Powder
pka 10.24±0.10(Predicted)
color  White to beige
Stability: Stable. Incompatible with strong oxidizing agents.
Water Solubility  <0.1 g/100 mL at 23.5 ºC
Merck  14,1082
BRN  119867
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
SMILES S=C1Nc2ccccc2N1
LogP 0.88-1.66 at 20-25℃
CAS DataBase Reference 583-39-1(CAS DataBase Reference)
NIST Chemistry Reference 2-Mercaptobenzimidazole(583-39-1)
EPA Substance Registry System 583-39-1(EPA Substance)

Safety Data

Symbol(GHS)  Skull and Crossbones (GHS06)Health Hazard (GHS08)
GHS06,GHS08
Signal word  Danger
Hazard statements  H301-H317-H373-H412
Precautionary statements  P260-P273-P280-P301+P310-P302+P352-P314
Hazard Codes  Xn
Risk Statements 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
R22:Harmful if swallowed.
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S24/25:Avoid contact with skin and eyes .
RIDADR  UN 2811 6.1/PG 3
WGK Germany  2
RTECS  DE1050000
Autoignition Temperature 480 °C
TSCA  Yes
REACH Registrations Active
HazardClass  6.1
PackingGroup  III
HS Code  29339910
Storage Class 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
Hazard Classifications Acute Tox. 3 Oral
Aquatic Chronic 3
Skin Sens. 1A
STOT RE 2
Safety Profile
Poison by intraperitoneal and intravenous routes. Moderately toxic by ingestion. Skin and eye irritant. When heated to decomposition it emits toxic fumes of SO, and NO,. See also MERCAPTANS.
Toxicity
LD50 orally in Rabbit: 300 mg/kg

Hazard Information

Material Safety Data Sheet(MSDS)

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