基本情報
- 標準SMILES
Brc1cccc(-c2ccccc2)c1- InChIKey
USYQKCQEVBFJRP-UHFFFAOYSA-N- 分子式
- C12H9Br
- 平均分子量
- 233.1 g/mol
- 単同位体質量
- 231.98876239
概要
3-bromobiphenyl is a clear yellow viscous liquid. Insoluble in water. (NTP, 1992)
名称と識別子
- 優先名称
- 3-Bromobiphenyl
- IUPAC
- 1-bromo-3-phenylbenzene
- 現地名
- 3-ブロモビフェニル
- 英語名
- 3-Bromobiphenyl
- 分子式
- C12H9Br
- 分子量
- 233.1
名称と別名
名称をさらに表示
データベース識別子
- CAS
2113-57-7- PubChem CID
- 16449
- DTXSID
DTXSID5024639- ChEMBL
CHEMBL1899525- UNII
- O7I53K56S8
- EC Number
- 218-304-9
- Nikkaji
- J41.832C
物性
構造計算による物性
- XLogP
- 4.6
- 極性表面積
- 0 Ų
- 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
実験および物理化学的性質
物理化学的性質
- 融点
- 93 · 93-94 °C
- 沸点
- 300 °C · 300 °C
- 比重(密度)
- 1.398 g/mL · 1.398 g/mL at 25 °C(lit.)
- 屈折率
- 1.637 · 1.637-1.641
- 闪点
- 110 °C · 110 °C
- 貯蔵温度
- Keep in dark place,Sealed in dry,Room Temperature
- 溶解性
- Chloroform (Soluble), DMSO (Slightly)
- 外見
- Liquid
- 色
- ライトイエローからグレーベージュ
- 水溶解度
- 不溶性
- Merck
- 14 · 14,4188
- BRN
- 2043191 · 2043191
- InChIKey
- USYQKCQEVBFJRP-UHFFFAOYSA-N
- CAS データベース
- 2113 · 2113-57-7(CAS DataBase Reference)
- NISTの化学物質情報
- 1 · 1,1'-Biphenyl, 3-bromo-(2113-57-7)
- EPAの化学物質情報
- 3 · 3-Bromobiphenyl (2113-57-7)
化学的性質
化学的特性Colorless to pale yellow liquid
安全と法規制
GHS分類
GHS Classification
Warning
H315 (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.
危険有害性情報
Regulatory Information
S - indicates a substance that is identified in a final Significant New Use Rule.
Restricted substance: 3-bromobiphenyl
安全と保護具
First Aid
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.
Nonfire Spill Response
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.
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)
毒性情報
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.
Toxicity Summary
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)
安全データ
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- 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.
- hs_code
- 29039990
- risk_code
- 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)
- hazard_code
- Xi
- safety_code
- 37/39-26-36
化学と産業
薬理情報
Metabolism/Metabolites
PBBs can be absorbed via oral, inhalation, and dermal routes. Due to their lipophilic nature, PBBs, especially the highly brominated congeners, tend to accumulate in lipid-rich tissues such as the liver, adipose, skin, and breast milk. Certain PBB compounds are metabolized by the microsomal monooxygenase system catalyzed by cytochrome P-450 of the type induced by phenobarbital. The rate of metabolism may depends on the bromine substitution pattern. PBB congeners of low bromine content are transformed into hydroxylated derivatives that are predominately eliminated in the urine. Highly brominated congeners are either retained or excreted unchanged in the feces. (L628)
用途と製造
Uses
PBBs can be used as flame retardants and may be added to the plastics used to make products like computer monitors, televisions, textiles, and plastic foams to make them difficult to burn. However, the use of PBBs is banned or restricted in most areas due to their toxicity and persistence in the environment. (L628, L629)
応用分野
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.
上流・下流製品情報
下流製品
サプライヤー50 社
補足説明
定義T3DB: 3-Monobromobiphenyl is a polybrominated biphenyl. Polybrominated biphenyls (PBBs) are a group of 209 synthetic organic compounds with 1-10 bromine atoms attached to biphenyl. They can be used as flame retardants and may be added to the plastics used to make products like computer monitors, televisions, textiles, and plastic foams to make them difficult to burn. However, the use of PBBs is banned or restricted in most areas due to their toxicity and persistence in the environment.
関連反応
関連ノート
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