9-ブロモフェナントレン

9-Bromophenanthrene

HCID 11309CAS 1564-64-3

基本情報

標準SMILES
Brc1cc2ccccc2c2ccccc12
InChIKey
RSQXKVWKJVUZDG-UHFFFAOYSA-N
分子式
C14H9Br
平均分子量
257.12 g/mol
単同位体質量
255.98876239

名称と識別子

優先名称
9-Bromophenanthrene
IUPAC
9-bromophenanthrene
現地名
9-ブロモフェナントレン
英語名
9-Bromophenanthrene
分子式
C14H9Br
分子量
257.13

名称と別名

9-BromophenanthrenePHENANTHRENE, 9-BROMO-EINECS 209-351-6NSC 400708DTXSID4049321BRN 1869927AI3-03652DTXCID90292774-05-00-02303 (Beilstein Handbook Reference)RefChem:107780209-351-6RSQXKVWKJVUZDG-UHFFFAOYSA-N
名称をさらに表示
9-ブロモフェナントレン9-フェナントリルブロミド9‐ブロモフェナントレン9-ブロモフェナントレン, 95%9 - bromide9 - broMine fe9-Bromophenthrene9-Bromophenanthene9-bromo-phenanthren9-phenathrylbromide9-Bromo Phenantrene
573-17-19-Phenanthryl bromide9-Phenathryl bromide9-Bromo-phenanthreneMFCD000011749-Bromphenanthren9-bromophenathreneUNII-N4XAW27Z35

データベース識別子

CAS
1564-64-3、573-17-1
PubChem CID
11309
DTXSID
DTXSID4049321
ChEMBL
CHEMBL3188808
UNII
N4XAW27Z35
EC Number
209-351-6
Nikkaji
J69.557B

物性

構造計算による物性

XLogP
5.1
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
0
重原子数
15

実験および物理化学的性質

SpringerMaterials PropertiesAngular frequency

物理化学的性質

融点
60 · 60-64 °C (lit.)
沸点
180 · 180-190 °C/2 mmHg (lit.)
比重(密度)
1.4251 · 1.4251 (rough estimate)
屈折率
1.6404 · 1.6404 (estimate)
闪点
230 °F · >230 °F
貯蔵温度
Sealed in dry,Room Temperature

化学的性質

化学的特性light yellow powder. soluble in toluene, and chloroform (50 mg/ml).

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H315 (50%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationPhenanthrene, 9-bromo-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (50%)

安全データ

F
8
wgk
3
rtecs
SF7197000
hs_code
29036990
risk_code
20/21/22-36/37/38
hazard_code
Xi,Xn

化学と産業

応用分野 · 2 件

説明9-Bromophenanthrene is a luminescent material that fluoresces at short wavelengths and can be used as a molecular probe to detect the presence of other compounds and the mechanism of reaction, among other things.

使用9-Bromophenanthrene is used as halogenated building block. Isotope labelled 9-Bromophenanthrene (B687200), a halogenated polycyclic aromatic hydrocarbon that has been seen to have a room temperature phosphorescence that can be induced by β-cyclodextrin (β-CD) in the presence of cyclohexane; however, trace Fe(III) causes a decrease of the RTP emission.

調製方法 · 1 件

製造方法9-Bromophenanthrene (90-94%) is produced by adding bromine to a refluxing solution of phenanthrene in carbon tetrachloride. This is the starting-point of 9-substituted phenanthrenes, e.g, when heated with cuprous cyanide at 260℃, 9-bromophenanthrene forms the corresponding cyano-compound; this may be hydrolysed to phenanthrene-9-carboxylic acid. Phenanthrene undergoes the Friedel-Crafts reaction mainly in the 3-, and to a small extent, in the 2-position. It is chloromethylated in the 9-position. When nitrated, phenanthrene gives a mixture of three mononitro-derivatives, the 3-isomer predominating. Sulphonation of phenanthrene gives a mixture of 1-, 2-, 3- and 9-phenanthrenesulphonic acids, and the ratio of these isomers depends on the temperature.

サプライヤー50 社

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関連反応

20 件

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