化工社化工社 化学情報印刷レポート · 研究参考用
イソシアン酸2,5-ジクロロフェニル
イソシアン酸2,5-ジクロロフェニル · 2,5-ジクロロフェニルイソシアナート · 1,4-ジクロロ-2-イソシアナトベンゼン · 2,5-Dichlorophenyl · 2,5-DICHLOROPHENYL CARBIMIDE · 2,5-DICHLOROPHENYL ISOCYANATE · 1,4-dichloro-2-phenylisocyanate · 1,4-Dichloro-2-isocyanatobenzene
識別子と物理属性
| CAS No. | 5392-82-5 |
|---|---|
| 分子式 | C7H3Cl2NO |
| 平均分子量 | 188.01 g/mol |
| 単同位体質量 | 186.9591691 g/mol |
| SMILES | O=C=Nc1cc(Cl)ccc1Cl |
| InChIKey | PEQMJVGRHNZPAM-UHFFFAOYSA-N |
| PubChem CID | 79360 |
| EC No. | 226-396-7 |
| DTXSID | DTXSID4063826 |
| 現地名 | イソシアン酸2,5-ジクロロフェニル |
化学・物理的性質
| XLogP | 4 |
|---|---|
| 極性表面積 | 29.4 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 2 |
| 回転可能結合数 | 1 |
| 重原子数 | 11 |
| 形式電荷 | 0 |
| 複雑度 | 179 |
| 融点 | 28-30°C |
| 沸点 | 120-122°C 20mm |
| 密度 | 1.3256 (rough estimate) |
| 屈折率 | 1.5500 (estimate) |
| 引火点 | >110°C |
| 貯蔵条件 | 0-10°C |
| 外観・状態 | 液体または低融点固体 |
| 色 | 透明～曇り 無色～黄色または白色～黄色 |
| 凝固点 | 22.0 to 26.0 ℃ |
| BRN | 388960 |
| CAS データベース | 5392-82-5(CAS DataBase Reference) |
| EPAの化学物質情報 | Benzene, 1,4-dichloro-2-isocyanato- (5392-82-5) |
化学的特性
The dichlorophenyl isocyanates are combustible, crystalline (sugar or sand-like) solids. In general, they are white to yellow in color, but the 1,4-dichloro-2-phenyl isomer is white to light green. Their flash points are generally .113C but that of the 1,3-dichloro-2-phenyl isomer is reported as 77C. These chemicals are insoluble in water, and some may be reactive. 1,2-dichloro-4-isomer (CAS 102-36-3) is the isomer of regulatory focus
安全性と法規制
| GHS 分類 | DangerH301 (97.8%): Toxic if swallowed [Danger Acute toxicity, oral]H311 (86.7%): Toxic in contact with skin [Danger Acute toxicity, dermal]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H317 (86.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H330 (13.3%): Fatal if inhaled [Danger Acute toxicity, inhalation]H331 (86.7%): Toxic if inhaled [Danger Acute toxicity, inhalation]H334 (97.8%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P233, P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P361+P364, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (97.8%)Acute Tox. 3 (86.7%)Skin Irrit. 2 (100%)Skin Sens. 1 (86.7%)Eye Irrit. 2 (100%)Acute Tox. 2 (13.3%)Resp. Sens. 1 (97.8%)STOT SE 3 (100%) |
| TSCA 収載状態 | TSCA listed |
| 輸送番号（UN） | 2250 |
| 税関コード | 2929100090 |
| 危険文句（R） | 23/25-36/37/38-42-42/43-23/24/25 |