化工社化工社 化学情報印刷レポート · 研究参考用
3-ブロモフルオロベンゼン
3-ブロモフルオロベンゼン · 3-フルオロ-1-ブロモベンゼン · 1-ブロモ-3-フルオロベンゼン · m-フルオロブロモベンゼン · 3-ブロモ-1-フルオロベンゼン · 1-フルオロ-3-ブロモベンゼン · m-ブロモフルオロベンゼン · 3-フルオロブロモベンゼン
識別子と物理属性
| CAS No. | 1073-06-9 |
|---|---|
| 分子式 | C6H4BrF |
| 平均分子量 | 175 g/mol |
| 単同位体質量 | 173.94804 g/mol |
| SMILES | Fc1cccc(Br)c1 |
| InChIKey | QDFKKJYEIFBEFC-UHFFFAOYSA-N |
| PubChem CID | 14082 |
| EC No. | 214-023-0 |
| DTXSID | DTXSID9061461 |
| 現地名 | 3-ブロモフルオロベンゼン |
化学・物理的性質
| XLogP | 3.2 |
|---|---|
| 極性表面積 | 0 |
| 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 | 8 |
| 形式電荷 | 0 |
| 複雑度 | 74 |
| Kovats Retention Index | 932.8 |
| 融点 | -8°C |
| 沸点 | 149-151 °C(lit.) |
| 密度 | 1.567 g/mL at 25 °C(lit.) |
| 屈折率 | n20/D 1.526(lit.) |
| 引火点 | 102 °F |
| 貯蔵条件 | Sealed in dry,Room Temperature |
| 溶解度 | 0.4g/l不溶性 |
| 外観・状態 | 液体 |
| 比重 | 1.567 |
| 色 | 無色透明～薄黄色 |
| BRN | 1853969 |
| ヘンリー定数 | 2.9×10-3 mol/(m3Pa) at 25℃, Ebert et al. (2023) |
| InChI | 1S/C6H4BrF/c7-5-2-1-3-6(8)4-5/h1-4H |
| InChIKey | QDFKKJYEIFBEFC-UHFFFAOYSA-N |
| SMILES | Fc1cccc(Br)c1 |
| CAS データベース | 1073-06-9(CAS DataBase Reference) |
| NISTの化学物質情報 | Benzene, 1-bromo-3-fluoro-(1073-06-9) |
| EPAの化学物質情報 | Benzene, 1-bromo-3-fluoro- (1073-06-9) |
化学的特性
Clearcolourlesstolightyellowliqui
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 2.5% (2 of 79) of reports.WarningH226 (97.5%): Flammable liquid and vapor [Warning Flammable liquids]H302 (94.9%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (96.2%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (94.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P280, P301+P317, P302+P352, P303+P361+P353, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 79 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 2 of 79 reports by companies.There are 9 notifications provided by 77 of 79 reports by companies with hazard statement code(s).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. |
|---|---|
| 規制情報 | Status: Active Update: 06-03-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/306411-Bromo-3-fluorobenzene: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Flam. Liq. 3 (97.5%)Acute Tox. 4 (94.9%)Skin Irrit. 2 (96.2%)Eye Irrit. 2A (94.9%) |
| RAIS Toxicity Values | 0.03SCREEN Current0.00030.003PPRTV Current |
| EPA Provisional Peer-Reviewed Toxicity Values | 1-Bromo-3-fluorobenzenePDF DocumentInadequate information to assess carcinogenic potential2017 |
| Hazard Quotient Level 0.1 or Cancer Risk Level 1E-06 | 2.30e+013.50e+024.90e+001.00e+014.70e-033.00e-04 |
| Hazard Quotient Level 3 or Cancer Risk Level 1E-04 | 7.00e+011.10e+031.50e+011.00e+013.00e-04Volatile |
| 水環境危害等級（WGK） | 2 |
| TSCA 収載状態 | TSCA listed |
| RTECS 番号 | DA1225000 |
| 輸送番号（UN） | UN 1993 3/PG 3 |
| 税関コード | 29036990 |
| 危険文句（R） | 10-22-36/38-36/37/38-20/21/22 |
| 化審法 | (3)-4286 |
| 消防法 | 危-4-2-III |
| 危険表示 | Xn,F,Xi |
| hazard_note | Flammable/Irritant |
| 安全措置（S） | 26-36-37/39-16 |
| 危険等級 | 3Acute Tox. 4 InhalationAcute Tox. 4 OralAquatic Chronic 2Flam. Liq. 3Skin Irrit. 2Skin Sens. 1 |
| 包装等級 | III |
| 貯蔵分類 | 3 - Flammable liquids |
用途
用途
有機合成用試薬。
使用
Intermediates of Liquid Crystals