化工社化工社 化学情報印刷レポート · 研究参考用
HCID 49840939作成日：2026年10月27日
2-Chlorocyclohex-1-ene-1-carbonitrile
2-chlorocyclohex-1-enecarbonitrile · 2-CHLOROCYCLOHEX-1-ENE-1-CARBONITRILE · 2-CHLORO-1-CYCLOHEXENE-1-CARBONITRILE · 1-Cyclohexene-1-carbonitrile, 2-chloro-
https://huagongshe.com/ja/chemical/49840939
識別子と物理属性
| CAS No. | 119205-37-7 |
|---|
| 分子式 | C7H8ClN |
|---|
| 平均分子量 | 141.6 g/mol |
|---|
| 単同位体質量 | 141.034527 g/mol |
|---|
| SMILES | N#CC1=C(Cl)CCCC1 |
|---|
| InChIKey | AFMPUGDGNQTHOQ-UHFFFAOYSA-N |
|---|
| PubChem CID | 49840939 |
|---|
| EC No. | 996-254-3 |
|---|
化学・物理的性質
| XLogP | 2.1 |
|---|
| 極性表面積 | 23.8 |
|---|
| 水素結合供与体数 | 0 |
|---|
| 水素結合受容体数 | 1 |
|---|
| 回転可能結合数 | 0 |
|---|
| 重原子数 | 9 |
|---|
| 形式電荷 | 0 |
|---|
| 複雑度 | 184 |
|---|
安全性と法規制
| GHS 分類 | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, 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 | Acute Tox. 4 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%) |
|---|
