化工社化工社 化学情報印刷レポート · 研究参考用
4-(Bromomethyl)-1-cyclohexyl-2-(trifluoromethyl)benzene
SIPO-009 · 4-Cyclohexyl-3-(trifluoromethyl)benzyl Bromide · 4-Bromomethyl-cyclohexy2-trifluoro-methybenzene · 4-(bromomethyl)-1-cyclohexyl-2-(trifluoromethyl)benzene · Benzene, 4-(bromomethyl)-1-cyclohexyl-2-(trifluoromethyl)- · 4-(bromomethyl)-1-cyclohexyl-2-(trifluoromethyl)benzene - [B87450]
識別子と物理属性
| CAS No. | 800381-60-6 |
|---|---|
| 分子式 | C14H16BrF3 |
| 平均分子量 | 321.18 g/mol |
| 単同位体質量 | 320.03875 g/mol |
| SMILES | FC(F)(F)c1cc(CBr)ccc1C1CCCCC1 |
| InChIKey | ZPIIIWNFODYJJO-UHFFFAOYSA-N |
| PubChem CID | 22057749 |
| EC No. | 849-160-0 |
化学・物理的性質
| XLogP | 5.9 |
|---|---|
| 極性表面積 | 0 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 3 |
| 回転可能結合数 | 2 |
| 重原子数 | 18 |
| 形式電荷 | 0 |
| 複雑度 | 258 |
| 沸点 | 322.9±37.0 °C(Predicted) |
| 密度 | 1.374±0.06 g/cm3(Predicted) |
| 貯蔵条件 | Store at Room Tem. |
| InChI | InChI=1S/C14H16BrF3/c15-9-10-6-7-12(11-4-2-1-3-5-11)13(8-10)14(16,17)18/h6-8,11H,1-5,9H2 |
| InChIKey | ZPIIIWNFODYJJO-UHFFFAOYSA-N |
| SMILES | C1(C2CCCCC2)=CC=C(CBr)C=C1C(F)(F)F |
安全性と法規制
| GHS 分類 | DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H351 (100%): Suspected of causing cancer [Warning Carcinogenicity]H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]P203, P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P272, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P318, P319, P321, P333+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 2 (100%)Skin Sens. 1A (100%)Eye Irrit. 2 (100%)STOT SE 3 (100%)Carc. 2 (100%)Aquatic Acute 1 (100%)Aquatic Chronic 1 (100%) |
| 注意喚起語 | 危険 |
| 危険有害性情報 | コード 危険有害性情報 危険有害性クラス 区分 注意喚起語 シンボル P コード H315 |