2-Mercaptobenzimidazol

2-Mercaptobenzimidazole

HCID 707035CAS 583-39-1

Grundinformationen

Standard-SMILES
S=c1[nH]c2ccccc2[nH]1
InChIKey
YHMYGUUIMTVXNW-UHFFFAOYSA-N
Summenformel
C7H6N2S
Durchschnittliche Molmasse
150,2 g/mol
Monoisotopische Masse
150,02516919

Überblick

2-mercaptobenzimidazole appears as white to yellow crystals or cream colored powder. Slight odor. (NTP, 1992)

Namen und Bezeichner

Bevorzugter Name
2-Mercaptobenzimidazole
IUPAC
1,3-dihydrobenzimidazole-2-thione
Lokaler Name
2-Mercaptobenzimidazol
Englischer Name
2-Mercaptobenzimidazole
Summenformel
C7H6N2S
Molmasse
150.2

Namen und Synonyme

2-Mercaptobenzimidazole583-39-12-Benzimidazolethiol1H-Benzimidazole-2-thiolAntioxidant MBo-PhenylenethioureaAntigene MBAntigen MBPermanax 21AOMBAntiegene MB2-MERCAPTOBENZOIMIDAZOLE
Weitere Namen anzeigen
1H-BENZO[D]IMIDAZOLE-2-THIOLMercaptobenzimidazoleVulkanoxSuMilizer MBBenzimidazole-2-thiol2-Mercaptobenzimidazole Joyce1,3-Dihydro-2H-benzo[d]imidazole-2-thioneBenzimidazol-2-thiol
2H-Benzimidazole-2-thione, 1,3-dihydro-ASM MB2-ThiobenzimidazoleMercaptobenzoimidazole1,3-Dihydro-2H-benzimidazole-2-thioneBenzimidazolethiol2-BenzimidazolinethioneUSAF XF-21

Datenbank-Bezeichner

CAS
583-39-1
PubChem CID
707035
DTXSID
DTXSID9025536
ChEMBL
CHEMBL70141
ChEBI
CHEBI:228724
UNII
619CVM6HOK
EC Number
209-502-6
Nikkaji
J1.632B、J3.800.039J

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,7
Polarare Oberfläche (TPSA)
56,2 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
0
Schwere Atome
10

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Imidazoles
LogP1.66
Density1.42 (NTP, 1992) - Denser than water; will sink
Solubility · 2 Einträge

less than 1 mg/mL at 74.3 °F (NTP, 1992)

>22.5 [ug/mL] (The mean of the results at pH 7.4)

Endocrine DisruptorsPotential endocrine disrupting compound
Melting Point577 to 579 °F (NTP, 1992)

Physikochemische Eigenschaften

Schmelzpunkt
300 · 300-304 °C (lit.)
Siedepunkt
270.6 · 270.6±23.0 °C(Predicted)
Dichte
1.42 · 1.42
Dampfdruck
0 · 0-0.001Pa at 25℃
Brechungsindex
1.55 · 1.5500 (estimate)
Flammpunkt
250 °C · >250°C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (80.3%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 279 reports by companies from 30 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: 2H-Benzimidazole-2-thione, 1,3-dihydro-

2H-Benzimidazole-2-thione, 1,3-dihydro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2H-Benzimidazole-2-thione, 1,3-dihydro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 01-06-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/10415

2-Mercaptobenzimidazole: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Mercaptobenzimidazoles and their zinc salts
DOT LabelPoison
Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Inhalation of the dust of this compound may cause respiratory tract irritation, resulting in runny nose, sneezing, coughing and chest discomfort.
Hazards Summary · 1 Eintrag

A mild skin and eye irritant; Causes somnolence, ataxia, coma, changes in liver weight, and evidence of thyroid hypofunction in acute oral studies of rats; Causes changes in thymus and thyroid weights and changes in erythrocyte count in 13-week intermittent inhalation studies of rats; [RTECS] A skin and strong eye irritant; Toxic by ingestion; Harmful by inhalation and skin absorption; [Sigma-Aldrich MSDS] See Benzimidazole.

Sicherheit und Schutzausrüstung

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. A water spray may also be used. (NTP, 1992)
First Aid · 1 Eintrag

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 Eintrag

SMALL SPILLS AND LEAKAGE: If a spill of this chemical occurs, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with acetone and transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Isolation and EvacuationExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Personal Protective Equipment (PPE) · 1 Eintrag

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

Sicherheitsdaten

wgk
2
tsca
TSCA listed
ridadr
UN 2811 6.1/PG 3
hs_code
29339910
RTECS-Nr.
DE1050000
risk_code
20/21/22-36/37/38-22

Chemie und Industrie

Verwendung und Herstellung

Uses · 2 Einträge

Purine synthesis antimetabolite. [ChemIDplus] Used as an intermediate, in rubber product manufacturing, and electroplating, [ExPub: ECHA REACH Registrations]

Electroplating [Category: Plate]

U.S. Production2023: <50,000 lb
Industry UsesHeat stabilizer
General Manufacturing Information · 2 Einträge

Plastics Product Manufacturing

2H-Benzimidazole-2-thione, 1,3-dihydro-: ACTIVE

Anwendungen · 1 Eintrag

Verwenden2-Mercaptobenzimidazole is used as an antidegradant. It is utilized for protecting rubber from oxidation. It is also employed as an intermediate in the preparation of rabeprazole. Further, it finds application in anti-leprosy drugs in medicine. In addition to this, it is used as a copper plating brightener.

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