化工社化工社 化学情報印刷レポート · 研究参考用
2,2'-ジベンゾチアゾリルジスルフィド
2,2'-ジベンゾチアゾリルジスルフィド · 2,2'-ジチオビスベンゾチアゾール · ジ(2-ベンゾチアゾリル)ペルスルフィド · ジ(ベンゾチアゾール-2-イル)ペルスルフィド · ビス(ベンゾチアゾール-2-イル)ペルジスルフィド · ビス(2-ベンゾチアゾリル)ペルスルフィド · ニアシド · ジベンゾチアジルジスルフィド
識別子と物理属性
| CAS No. | 120-78-5 |
|---|---|
| 分子式 | C14H8N2S4 |
| 平均分子量 | 332.5 g/mol |
| 単同位体質量 | 331.95703226 g/mol |
| SMILES | c1ccc2sc(SSc3nc4ccccc4s3)nc2c1 |
| InChIKey | AFZSMODLJJCVPP-UHFFFAOYSA-N |
| PubChem CID | 8447 |
| ChEMBL | CHEMBL508112 |
| ChEBI | CHEBI:53239 |
| EC No. | 204-424-9 |
| DTXSID | DTXSID1020146 |
| 現地名 | 2,2'-ジベンゾチアゾリルジスルフィド |
化学・物理的性質
| XLogP | 5.6 |
|---|---|
| 極性表面積 | 133 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 6 |
| 回転可能結合数 | 3 |
| 重原子数 | 20 |
| 形式電荷 | 0 |
| 複雑度 | 311 |
| Polymers | Plastics & Rubber -> Rubber Additives |
| SpringerMaterials Properties | Diamagnetic susceptibility |
| LogP（分配係数） | 4.5 |
| 臭い | ODORLESS淡白色〜クリーム色の粉末または顆粒で、わずかな臭気がある。 |
| 密度 | 1.54 (NTP, 1992) - Denser than waterwill sink1.50Density (at 20 °C): 1.5 g/cm³ |
| Color/Form | PALE YELLOW NEEDLES FROM BENZENEFREE-FLOWING POWDERCream to off-white powder or pellets |
| 溶解度 | less than 0.1 mg/mL at 70 °F (NTP, 1992)INSOLUBLE IN WATERAT 25 °C LESS THAN 0.5 G/100 ML ACETONE OR BENZENE, 0.2 G/100 ML CARBON TETRACHLORIDE, 0.5 G/100 ML NAPHTHA, 0.2 G/100 ML ALCOHOL, 0.2 G/100 ML ETHERSOMEWHAT MORE SOL IN CHLOROFORM THAN CARBON TETRACHLORIDEIn water, <10mg/LSolubility in water: very poor0.01g/l<0.01 g/100 mL で 21 ºC |
| 引火点 | 518 °F (NTP, 1992)257 °C271°C |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Decomposition | WHEN HEATED TO DECOMPOSITION, SUCH MATERIALS CAN EVOLVE HIGHLY TOXIC FUMES CONTAINING SO(X). /SULFUR COMPD/ |
| 融点 | 334 °F (NTP, 1992)180 °CMP: 168 °C MIN /COMMERCIAL PRODUCT/177-180 °C (lit.) |
| Food Contact Substances | FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR |
| 沸点 | 532.5±33.0 °C(Predicted) |
| 蒸気圧 | 0Pa at 25℃ |
| 屈折率 | 1.5700 (estimate) |
| 貯蔵条件 | Keep in dark place,Sealed in dry,Room Temperature |
| 外観・状態 | powder to crystal |
| pKa（酸解離定数） | -0.58±0.10(Predicted) |
| 色 | クリーム色から淡黄色の粉末 |
| Merck | 14,3370 |
| ヘンリー定数 | 4.2×107 mol/(m3Pa) at 25℃, HSDB (2015) |
| InChI | 1S/C14H8N2S4/c1-3-7-11-9(5-1)15-13(17-11)19-20-14-16-10-6-2-4-8-12(10)18-14/h1-8H |
| InChIKey | AFZSMODLJJCVPP-UHFFFAOYSA-N |
| SMILES | S(Sc1nc2ccccc2s1)c3nc4ccccc4s3 |
| LogP（分配係数） | 4.5 at 20℃ |
| CAS データベース | 120-78-5(CAS DataBase Reference) |
| NISTの化学物質情報 | Benzothiazyl disulfide(120-78-5) |
| EPAの化学物質情報 | 2,2'-Dithiobisbenzothiazole (120-78-5) |
化学的特性
yellow amorphous powder
安全性と法規制
| GHS 分類 | WarningH317: May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
|---|---|
| 規制情報 | Chemical: Benzothiazole, 2,2'-dithiobis-Benzothiazole, 2,2'-dithiobis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzothiazole, 2,2'-dithiobis- 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: 29-09-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/148842,2'-Dithiobisbenzothiazole: Does not have an individual approval but may be used under an appropriate group standard |
| その他の安全情報 | IMAP assessments - Benzothiazole, 2,2'-dithiobis-: Human health tier I assessment |
| 輸送ラベル（DOT） | Class 9 |
| 火災危険 | This chemical is combustible. (NTP, 1992)Combustible. Gives off irritating or toxic fumes (or gases) in a fire. Finely dispersed particles form explosive mixtures in air. |
| 健康有害性 | SYMPTOMS: Symptoms of exposure to this compound include skin and eye irritation. |
| 有害性の概要 | A skin, eye, and respiratory tract irritantMay cause skin sensitizationCan be absorbed through skin[ICSC] May cause skin sensitization[HSDB] A skin and eye irritant[CAMEO] May cause skin sensitization[eChemPortal: ESIS] May cause irritationMay cause skin and respiratory sensitization after prolonged contact[MSDSonline] See Mercapto mix. |
| 反応性グループ | Amines, Phosphines, and Pyridines |
| EC 分類 | Symbol: Xi, NR: 31-43-50/53S: (2)-36/37-60-61 |
| UN 分類 | UN Hazard Class: 9 |
用途
用途
中間物、ゴム用添加剤、樹脂用添加剤、有機ゴム薬品(加硫促進剤)
説明
Dibenzothiazyl disulfide is a rubber chemical used as a vulcanization accelerant. The most frequent occupational categories are metal industry, homemakers, health services and laboratories, and building industries.
使用
2,2’Dibenzothiazoyl Disulfide has the potential to combat HPV, acting as a zinc-ejecting inhibitor. It also can act as radical polymerization photo-initiators or co-initiators.
一般的な説明
Cream to light yellow powder.