2-メルカプトベンゾイミダゾール

2-Mercaptobenzimidazole

HCID 707035CAS 583-39-1

基本情報

標準SMILES
S=c1[nH]c2ccccc2[nH]1
InChIKey
YHMYGUUIMTVXNW-UHFFFAOYSA-N
分子式
C7H6N2S
平均分子量
150.2 g/mol
単同位体質量
150.02516919

概要

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

名称と識別子

優先名称
2-Mercaptobenzimidazole
IUPAC
1,3-dihydrobenzimidazole-2-thione
現地名
2-メルカプトベンゾイミダゾール
英語名
2-Mercaptobenzimidazole
分子式
C7H6N2S
分子量
150.2

名称と別名

2-Mercaptobenzimidazole583-39-12-Benzimidazolethiol1H-Benzimidazole-2-thiolAntioxidant MBo-PhenylenethioureaAntigene MBAntigen MBPermanax 21AOMBAntiegene MB2-MERCAPTOBENZOIMIDAZOLE
名称をさらに表示
2-メルカプトベンゾイミダゾール1H-1,3-ベンゾイミダゾール-2-チオールノクラックMBアンチゲンMB抗原MB1,3-ジヒドロ-2H-ベンゾイミダゾール-2-チオン2-メルカプト-1H-ベンゾイミダゾールブルカノックスMBI1H-ベンゾイミダゾール-2(3H)-チオン抗酸化剤MB酸化防止剤MBペルマナックス212-ベンゾイミダゾールチオール1H-ベンゾイミダゾール-2-チオール2-メルカプトベンゾイミダゾル2メルカプトベンズイミダゾ-ル2-メルカブトベンズイミダゾール2-メルカプトベンズイミダゾール2メルカプトベンゾイミダゾル2-メルカプトベンズイミダゾル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

データベース識別子

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

物性

構造計算による物性

XLogP
1.7
極性表面積
56.2 Ų
水素結合供与体数
2
水素結合受容体数
1
回転可能結合数
0
重原子数
10

実験および物理化学的性質

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

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)

物理化学的性質

融点
300 · 300-304 °C (lit.)
沸点
270.6 · 270.6±23.0 °C(Predicted)
比重(密度)
1.42 · 1.42
蒸気圧
0 · 0-0.001Pa at 25℃
屈折率
1.55 · 1.5500 (estimate)
闪点
250 °C · >250°C

化学的性質

化学的特性yellow or white crystals

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Regulatory Information · 4 件

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 件

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.

安全と保護具

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 件

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 件

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 件

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)

安全データ

wgk
2
tsca
TSCA listed
rtecs
DE1050000
ridadr
UN 2811 6.1/PG 3
毒性
LD50 orally in Rabbit: 300 mg/kg
hs_code
29339910

化学と産業

用途と製造

Uses · 2 件

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 件

Plastics Product Manufacturing

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

応用分野 · 3 件

用途有機ゴム老化防止剤。

使用2-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.

一般的な説明White to yellow crystals or cream colored powder. Slight odor.

調製方法

純化方法Crystallise it from aqueous EtOH, AcOH or aqueous ammonia. It complexes with many metals. [Brown J Chem Soc 1976 1958, Beilstein 24 II 65, 24 III/IV 287.]

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
爱斯特(成都)生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
武汉博莱特化工有限公司+86-027-85583407 +86-13554014698 · [email protected]

関連反応

5 件

関連ノート

読み込み中…