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2-Mercaptobenzimidazole(CAS No. 583-39-1)

2-Mercaptobenzimidazole C7H6N2S (cas 583-39-1) Molecular Structure

583-39-1 Structure

Identification and Related Records

【Name】
2-Mercaptobenzimidazole
【CAS Registry number】
583-39-1
【Synonyms】
Benzimidazole-2-thiol
Antioxidant MB
1H-benzimidazol-2-yl hydrosulfide
2-MERCAPTO BENZIMIDAZOLE
1,3-dihydro-2h-benzimidazole-2-thion
1,3-Dihydro-2H-benzimidazole-2-thione
1,3-Dihydro-benzoimidazole-2-thione
2,3-Dihydro-1H-benzimidazole-2-thiol
2-Benzimidazolethione
2-Benzimidazolinethione
2-benzimidazolinthion
2-Mercapto benzanidazole
MBI
2- Mercaptobenzimidazole
2H-Benzimidazole-2-thione, 1,3-dihydro-
2H-Benzimidazole-2-thione,1,3-dihydro-
2-Mercaptobenzoimidazole
2-merkaptobenzimidazol
2-Thiobenzimidazole
2-Thiol benzimidazole
Anitiegene MB
Antiegene MB
antiegenemb
Antigen MB
Antigene MB
Zinc salt of 2-mercaptobenzimidazol
【EINECS(EC#)】
209-502-6
【Molecular Formula】
C7H6N2S (Products with the same molecular formula)
【Molecular Weight】
150.2
【Inchi】
InChI=1/C7H6N2S/c10-7-8-5-3-1-2-4-6(5)9-7/h1-4H,(H2,8,9,10)
【Canonical SMILES】
C1=CC=C2C(=C1)NC(=S)N2
【MOL File】
583-39-1.mol

Chemical and Physical Properties

【Appearance】
yellow or white crystals
【Density】
1.40—1.44
【Melting Point】
301-305℃
【Boiling Point】
270.6°Cat760mmHg
【Refractive Index】
1.714
【Flash Point】
> 250 oC
【Water】
<0.1 g/100 mL at 23.5 ºC
【Solubilities】
<0.1 g/100 mL at 23.5 oC
【Stability】
Stable. Incompatible with strong oxidizing agents.
【HS Code】
29339910
【Storage temp】
Keep container closed when not in use. Store in a cool, dry, well-ventilated area away from incompatible substances. Keep containers tightly closed.
【Computed Properties】
Molecular Weight:150.20094 [g/mol]
Molecular Formula:C7H6N2S
XLogP3:1.7
H-Bond Donor:2
H-Bond Acceptor:1
Rotatable Bond Count:0
Tautomer Count:2
Exact Mass:150.025169
MonoIsotopic Mass:150.025169
Topological Polar Surface Area:56.2
Heavy Atom Count:10
Formal Charge:0
Complexity:142
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Donor Count:2
Feature 3D Ring Count:2
Effective Rotor Count:0
Conformer Sampling RMSD:0.4
CID Conformer Count:1

Safety and Handling

【Hazard Codes】
Xn:Harmful
【Risk Statements】
R22
【Safety Statements 】
S24/25
【HazardClass】
6.1
【Safety】

Poison by intraperitoneal and intravenous routes. Moderately toxic by ingestion. Skin and eye irritant. When heated to decomposition it emits toxic fumes of SOx and NOx. See also MERCAPTANS.
The Hazard Codes of 2-BENZIMIDAZOLETHIOL(583-39-1):? Xn
The Risk Statements information of 2-BENZIMIDAZOLETHIOL(583-39-1):
22:? Harmful if swallowed?
20/21/22:? Harmful by inhalation, in contact with skin and if swallowed?
36/37/38:? Irritating to eyes, respiratory system and skin?
The Safety Statements information of 2-BENZIMIDAZOLETHIOL(583-39-1):
26:? In case of contact with eyes, rinse immediately with plenty of water and seek medical advice?
36:? Wear suitable protective clothing?
24/25:? Avoid contact with skin and eyes?

【PackingGroup 】
III
【Transport】
UN 2811 6.1/PG 3
【Specification】

yellow or white crystals
usageEng:An antidegradant, protecting rubber from oxidation. An intermediate in the synthesis of Rabeprazole (R070500)
Safety Statements:26-36-24/25
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36:Wear suitable protective clothing
24/25:Avoid contact with skin and eyes
【Report】

Reported in EPA TSCA Inventory.

Use and Manufacturing

【Usage】
An antidegradant, protecting rubber from oxidation. An intermediate in the synthesis of Rabeprazole (R070500)

Biomedical Effects and Toxicity

【Therapeutic Uses】
An antidegradant, protecting rubber from oxidation. An intermediate in the synthesis of Rabeprazole (R070500)

Supplier Location

Top Suppliers

Diamond member Nanjing Bangnuo Biotechnology Co., Ltd.
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-25-52113793
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Telephone:86-27-59721024
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Business Type:Trading Company
Telephone:86-311-13292230735
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Diamond member Jinlan Pharm-Drugs Technology Co., Limited
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Telephone:86-571-85829152
Diamond member Nanjing Chemlin Chemical Co., Ltd.
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Business Type:Manufacturer
Telephone:86-25-83697070
Diamond member Hangzhou J&H Chemical Co., Ltd
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-571-87396430
Diamond member Shulin Li
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-17083-639935

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