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3-ブロモビフェニル

3-Bromobiphenyl

HCID 16449
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基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
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基本情報

CAS
2113-57-7
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

3-BROMOBIPHENYL3-Bromo-1,1'-biphenyl1,1'-Biphenyl, 3-bromo-Biphenyl, 3-bromo-3-BromodiphenylDTXSID5024639CCRIS 5889O7I53K56S8EINECS 218-304-9WLN: ER CRBROMOBIPHENYL, 3-NSC 407775
名称をさらに表示
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3‐ブロモビフェニル標準液3-ブロモ-1,1′-ビフェニル3-ブロモビフェニル標準品PBB NO 2218-304-93-BROMOBIPHNYL3-bromo-biphenym-Bromobiphenyl3-Xenyl bromide
NSC-407775PBB 2UNII-O7I53K56S8AI3-11169DTXCID104639(1,1'-BIPHENYL)-3-YL BROMIDE[1,1'-BIPHENYL]-3-YL BROMIDE3-Monobromobiphenyl

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補完中

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

SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP4.85
SolubilityInsoluble (NTP, 1992)
Boiling Point570 to 574 °F at 760 mmHg (NTP, 1992)
Physical Description3-bromobiphenyl is a clear yellow viscous liquid. Insoluble in water. (NTP, 1992)

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

安全と法規制

安全情報は参考情報です。供給元の安全データシート(SDS)、適用法令、専門家による評価に代わるものではありません。

GHS分類

GHS Classification · 4 件

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 · 2 件

S - indicates a substance that is identified in a final Significant New Use Rule.

Restricted substance: 3-bromobiphenyl

Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Reactive GroupAryl Halides
Reactivity Profile3-BROMOBIPHENYL may be sensitive to light. This compound may react with oxidizing materials. (NTP, 1992)
Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全と保護具

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 件

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.

化学と産業

薬理情報

Metabolism/Metabolites · 1 件

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 · 1 件

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)

General Manufacturing Information1,1'-Biphenyl, 3-bromo-: ACTIVE

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

3-ビフェニルボロン酸3-フェニルベンゼンスルホニルクロリド

関連反応

78 件
反応記録を作成
HRID 23126 の反応式
HRID 23126反応物としてuspto-grants-2005_02
HRID 39608 の反応式
HRID 39608反応物としてuspto-grants-2013_09
HRID 78046 の反応式
HRID 78046反応物としてuspto-grants-2014_09
HRID 133212 の反応式
HRID 133212反応物としてuspto-grants-2008_06
HRID 152129 の反応式
HRID 152129反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 202277 の反応式
HRID 202277反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 209710 の反応式
HRID 209710反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 248136 の反応式
HRID 248136生成物としてuspto-grants-1993_05
1 / 10 ページ

化合物ノート

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このページの内容基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
その他の操作
ノートを作成反応を作成見積依頼を出す
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

Nonfire Spill Response · 1 件

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 LevelAcute Oral: 0.01 mg/kg/day (L134)
Personal Protective Equipment (PPE) · 1 件

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 · 1 件

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.

Health EffectsPBB 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)
Exposure RoutesOral (L628) ; inhalation (L628) ; dermal (L628)
Toxicity Summary · 1 件

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 SymptomsSymptoms of PBB exposure may include nausea, abdominal pain, loss of appetite, joint pain, fatigue, and weakness. (L629)
Carcinogen Classification2A, probably carcinogenic to humans. (L135)

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
N-フェニル-3-ビフェニルアミン
3-フェニルベンジルアミン
BIPHENYL-3-YL-HYDRAZINE HYDROCHLORIDE
2-(4-ビフェニリル)-4,6-ジクロロ-1,3,5-トリアジン
3-(ブロモメチル)ビフェニル
補足説明 · 1 件

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.