化工社化工社 化学情報印刷レポート · 研究参考用
4,4'-ジイソシアナト-3,3'-ジメチルビフェニル
4,4'-ジイソシアナト-3,3'-ジメチルビフェニル · トリジンジイソシアナート · (3,3'-ジメチル-4,4'-ビフェニリレン)ビスイソシアナート · 3,3'-ジメチルビフェニル-4,4'-ジイソシアナート · 3,3'-ジメチル-1,1'-ビフェニル-4,4'-ジイルビスイソシアナート · 3,3'-ジメチルビフェニル-4,4'-ジイル=ジイソシアネート · 3,3'-ジメチルビフェニル-4,4'-ジイルジイソシアナート · 3,3'-ジメチル-1,1'-ビフェニル-4,4'-ジイルジイソシアナート
識別子と物理属性
| CAS No. | 91-97-4 |
|---|---|
| 分子式 | C16H12N2O2 |
| 平均分子量 | 264.28 g/mol |
| 単同位体質量 | 264.08987762 g/mol |
| SMILES | Cc1cc(-c2ccc(N=C=O)c(C)c2)ccc1N=C=O |
| InChIKey | ICLCCFKUSALICQ-UHFFFAOYSA-N |
| PubChem CID | 7072 |
| EC No. | 202-112-7 |
| DTXSID | DTXSID7041463 |
| 現地名 | 4,4'-ジイソシアナト-3,3'-ジメチルビフェニル |
化学・物理的性質
| XLogP | 5.9 |
|---|---|
| 極性表面積 | 58.9 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 4 |
| 回転可能結合数 | 3 |
| 重原子数 | 20 |
| 形式電荷 | 0 |
| 複雑度 | 384 |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Food Contact Substances | FCS -> FDA Cumulative Estimated Daily Intake (CEDI)FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR |
| 融点 | 70-72°C |
| 沸点 | 195-197°C (667 Pa) |
| 密度 | 1.197 (80°C) |
| 蒸気圧 | 0.003Pa at 25℃ |
| 屈折率 | 1.5800 (estimate) |
| 引火点 | 218°C |
| 貯蔵条件 | 0-10°C |
| 溶解度 | soluble in Toluene594.08μg/L at 25℃ |
| 外観・状態 | pellet |
| 色 | White to Almost white |
| LogP（分配係数） | 6.052 at 25℃ |
| CAS データベース | 91-97-4(CAS DataBase Reference) |
| EPAの化学物質情報 | 3,3'-Dimethyl-4,4'-diphenylene diisocyanate (91-97-4) |
安全性と法規制
| GHS 分類 | DangerH317: May cause an allergic skin reaction [Warning Sensitization, Skin]P203, P233, P260, P261, P271, P272, P280, P284, P302+P352, P304+P340, P318, P321, P333+P317, P342+P316, P362+P364, P403, P405, and P501 (click each P-code to see the statement)H317 (98.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]P233, P260, P261, P271, P272, P273, P280, P284, P302+P352, P304+P340, P317, P321, P333+P317, P342+P316, P362+P364, P391, P403, and P501 (click each P-code to see the statement) |
|---|---|
| 規制情報 | Chemical: 1,1'-Biphenyl, 4,4'-diisocyanato-3,3'-dimethyl-Hazard Traits - Respiratory ToxicityStatus: Active Update: 11-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/10067Restricted substance: 3,3'-dimethylbiphenyl-4,4'-diyl diisocyanate |
| 輸送ラベル（DOT） | Poison |
| 火災危険 | Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]: |
| 健康有害性 | Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]: |
| 反応性グループ | Isocyanates and Isothiocyanates |
| Reactivity Profile | Isocyanates and thioisocyanates, such as 3,3'-DIMETHYL-4,4'-DIPHENYLENE DIISOCYANATE, are incompatible with many classes of compounds, reacting exothermically to release toxic gases. Reactions with amines, aldehydes, alcohols, alkali metals, ketones, mercaptans, strong oxidizers, hydrides, phenols, and peroxides can cause vigorous releases of heat. Acids and bases initiate polymerization reactions in these materials. Some isocyanates react with water to form amines and liberate carbon dioxide. Base-catalysed reactions of isocyanates with alcohols should be carried out in inert solvents. Such reactions in the absence of solvents often occur with explosive violence, [Wischmeyer(1969)]. |
| Air and Water Reactions | No rapid reaction with air. No rapid reaction with water. |
| Hazard Classes and Categories | Skin Sens. 1 (98.7%)Respiratory sensitization - Category 1Carc. 2 |
用途
用途
ウレタンエラストマー原料,パッキング材原料
使用
4,4''-Diisocyanato-3,3''-dimethylbiphenyl is used in preparation method of high-thixotropy single-component modified silane polymer sealant comprising thixotropic agent.