2-Bromo-9H-fluorene (HCID 14336)

名称と識別子

優先名称: 2-Bromo-9H-fluorene
IUPAC: 2-bromo-9H-fluorene
現地名: 2-ブロモフルオレン
英語名: 2-Bromofluorene
分子式: C13H9Br
分子量: 245.11

名称と別名

2-Bromofluorene2-BROMO-9H-FLUORENE9H-Fluorene, 2-bromo-EINECS 214-480-6AI3-00816DTXSID00150357NSC 14632Bromo9Hfluorene9HFluorene, 2bromoRefChem:467114DTXCID1072848214-480-6

名称をさらに表示

2-ブロモフルオレン2-ブロモ-9H-フルオレン2‐ブロモフルオレンEAFC2-BromofL2-Brom-fluoren2-Bromofluorene>2-Bromofluorene 95%2-Bromofluorene,95%2-broMo-2H-fluorene

InChI=1/C13H9Br/c14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8H,7H1133-80-8MFCD00001115J2DF3P68J29H-Fluorene,2-bromo2-Bromo-9H-fluorene #SCHEMBL415882NSC-1463

データベース識別子

CAS: 1133-80-8
PubChem CID: 14336
DTXSID: DTXSID00150357
UNII: J2DF3P68J2
EC Number: 214-480-6
Nikkaji: J149.817G

物性

構造計算による物性

XLogP: 4.5
極性表面積: 0 Å²
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: 14
形式電荷: 0
複雑度: 213

実験および物理化学的性質

PolymersOther Classes -> Polycyclic Aromatic Hydrocarbons

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Vapor Pressure0.0000751 [mmHg]

Physical DescriptionWhite to light yellow crystalline powder; [Alfa Aesar MSDS]

物理化学的性質

融点: 112 · 112-114 °C (lit.)
沸点: 185 °C/135 · 185 °C/135 mmHg (lit.)
比重(密度): 1.4187 · 1.4187 (rough estimate)
屈折率: 1.629 · 1.6290 (estimate)
闪点: 185 °C/135mm · 185°C/135mm
貯蔵温度: Sealed in dry,Room Temperature
溶解性: クロロホルムおよび酢酸エチルに可溶。
外見: わずかに結晶性の粉末またはフレーク
色: 白色～やや黄色
BRN: 1946701 · 1946701
InChI: InChI=1S/C13H9Br/c14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8H,7H2
InChIKey: FXSCJZNMWILAJO-UHFFFAOYSA-N
SMILES: C1C2=C(C=CC=C2)C2=C1C=C(Br)C=C2
CAS データベース: 1133 · 1133-80-8(CAS DataBase Reference)
NISTの化学物質情報: 9 H-Fluorene, · 9H-Fluorene, 2-bromo-(1133-80-8)

化学的性質

化学的特性white to slightly yellow crystalline powder

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 1.9% (1 of 53) of reports.

Warning

H315 (98.1%): 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 53 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationStatus: Active Update: 28-09-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/18175

Hazards SummaryAn irritant; [Alfa Aesar MSDS] See POLYCYCLIC AROMATIC HYDROCARBONS.

Hazard Classes and CategoriesSkin Irrit. 2 (98.1%)

安全データ

wgk: 3
hs_code: 29039990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
hazard_class: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 2 件

使用2-Bromofluorene was used in the synthesis of end-capping reagent 2-bromo-9,9-di-nhexylfluorene. It has been used in the preparation of poly(di-n-hexylfluorene)s end capped with 2-bromofluorene, 2-bromo-9,9-di-n-hexylfluorene and 9-bromoanthracene through Ni(0) mediated polymerization. It was also used in the synthesis of 2-bromo-9,9-dihexylfluorene.

一般的な説明2-Bromofluorene is a nonintrusive end-capping reagent to control molecular weights and to generate well-defined oligomers. It is used as a reagent for the preparation of dibromofluorene-labelled polystyrene by nitroxide-mediated polymerization. It is also being used in the agricultural sector as a fungicide for tomato disease control. Its carcinogenic effects on humans are currently being investigated.