化工社化工社 化学情報印刷レポート · 研究参考用
3-ブロモビフェニル
3-ブロモビフェニル · ビフェニル-3-イルブロミド · 3-ブロモ-1,1'-ビフェニル · 3-ブロモビフェニル標準液 · 3-ブロモビフェニール · 3-ブロモジフェニル · 3‐ブロモビフェニル · 3‐ブロモビフェニル標準品
識別子と物理属性
| CAS No. | 2113-57-7 |
|---|---|
| 分子式 | C12H9Br |
| 平均分子量 | 233.1 g/mol |
| 単同位体質量 | 231.98876239 g/mol |
| SMILES | Brc1cccc(-c2ccccc2)c1 |
| InChIKey | USYQKCQEVBFJRP-UHFFFAOYSA-N |
| PubChem CID | 16449 |
| ChEMBL | CHEMBL1899525 |
| EC No. | 218-304-9 |
| DTXSID | DTXSID5024639 |
| 現地名 | 3-ブロモビフェニル |
化学・物理的性質
| XLogP | 4.6 |
|---|---|
| 極性表面積 | 0 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 0 |
| 回転可能結合数 | 1 |
| 重原子数 | 13 |
| 形式電荷 | 0 |
| 複雑度 | 149 |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| LogP（分配係数） | 4.85 |
| 溶解度 | Insoluble (NTP, 1992)Chloroform (Soluble), DMSO (Slightly)不溶性 |
| 沸点 | 570 to 574 °F at 760 mmHg (NTP, 1992)300 °C |
| Physical Description | 3-bromobiphenyl is a clear yellow viscous liquid. Insoluble in water. (NTP, 1992) |
| 融点 | 93-94 °C |
| 密度 | 1.398 g/mL at 25 °C(lit.) |
| 屈折率 | 1.637-1.641 |
| 引火点 | 110 °C |
| 貯蔵条件 | Keep in dark place,Sealed in dry,Room Temperature |
| 外観・状態 | Liquid |
| 色 | ライトイエローからグレーベージュ |
| Merck | 14,4188 |
| BRN | 2043191 |
| InChIKey | USYQKCQEVBFJRP-UHFFFAOYSA-N |
| CAS データベース | 2113-57-7(CAS DataBase Reference) |
| NISTの化学物質情報 | 1,1'-Biphenyl, 3-bromo-(2113-57-7) |
| EPAの化学物質情報 | 3-Bromobiphenyl (2113-57-7) |
化学的特性
Colorless to pale yellow liquid
安全性と法規制
| GHS 分類 | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 規制情報 | S - indicates a substance that is identified in a final Significant New Use Rule.Restricted substance: 3-bromobiphenyl |
| 火災危険 | Flash point data for this chemical are not available. It is probably combustible. (NTP, 1992) |
| 反応性グループ | Aryl Halides |
| Reactivity Profile | 3-BROMOBIPHENYL may be sensitive to light. This compound may react with oxidizing materials. (NTP, 1992) |
| Air and Water Reactions | Insoluble in water. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| 消火 | Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992) |
| 応急処置 | EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. |
| 非火災時の漏出対応 | SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. |
| Minimum Risk Level | Acute Oral: 0.01 mg/kg/day (L134) |
| Personal Protective Equipment (PPE) | RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992) |
| Treatment | EYES: irrigate opened eyes for several minutes under running water. INGESTION: do not induce vomiting. Rinse mouth with water (never give anything by mouth to an unconscious person). Seek immediate medical advice. SKIN: should be treated immediately by rinsing the affected parts in cold running water for at least 15 minutes, followed by thorough washing with soap and water. If necessary, the person should shower and change contaminated clothing and shoes, and then must seek medical attention. INHALATION: supply fresh air. If required provide artificial respiration. |
| 健康影響 | PBB exposure may cause weight loss, skin disorders (such as acne), nervous and immune systems effects, and effects on the liver, kidneys, and thyroid gland. (L628) |
| 暴露経路 | Oral (L628)inhalation (L628)dermal (L628) |
| 毒性の概要 | The exact mechanism of toxicty of PBBs varies depending on the specific congener. The predominant interaction is believed to involve the aryl hydrocarbon receptor (AhR). PBBs bind to and activate the AhR, which in turn initiates the transcriptional upregulation of a number of genes, affecting biochemical and endocrine pathways, cell cycle regulation, morphogenesis, oxidative stress response, and various other processes. This results in the numerous toxic responses characteristic of PBBs. Some of the known induced genes include the cytochrome P-450-dependent monooxygenases CYP1A1 and CYP1A2. (L628) |
| Signs and Symptoms | Symptoms of PBB exposure may include nausea, abdominal pain, loss of appetite, joint pain, fatigue, and weakness. (L629) |
| Carcinogen Classification | 2A, probably carcinogenic to humans. (L135) |
| 水環境危害等級（WGK） | 3 |
| TSCA 収載状態 | TSCA listed |
| RTECS 番号 | DV1750000 |
| 毒性 | mouse,LDLo,intraperitoneal,500mg/kg (500mg/kg),"Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 6, Pg. 217, 1954. |
| 税関コード | 29039990 |
| 危険文句（R） | 36/37/38 |
| 化審法 | (4)-18 |
| 安衛法 | 57,57-2 |
| 消防法 | 危険物第4類第三石油類(非水溶性) |
| 危険表示 | Xi |
| 安全措置（S） | 37/39-26-36 |
用途
使用
3-Bromobiphenyl is utilized as an electrochemical immunosensor based on poly(dopamine) coated gold nanocluster for brominated flame retardants.
一般的な説明
Clear yellow viscous liquid. Insoluble in water.