9-ブロモフルオレン

9-Bromofluorene

HCID 16024CAS 1940-57-4

部分構造検索類似構造を探す

基本情報

標準SMILES: BrC1c2ccccc2-c2ccccc21
InChIKey: AHCDKANCCBEQJJ-UHFFFAOYSA-N
分子式: C13H9Br
平均分子量: 245.11 g/mol
単同位体質量: 243.98876

名称と識別子

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

名称と別名

9-Bromofluorene9-Bromo-9H-fluorene1940-57-4FLUORENE, 9-BROMO-9-Fluorenyl BromideZ497X72T8QNSC-12349DTXSID40173020RefChem:107778DTXCID3095511217-722-9AHCDKANCCBEQJJ-UHFFFAOYSA-N

名称をさらに表示

9-ブロモフルオレン9-ブロモ-9H-フルオレン9-フルオレニルブロミド9-ブロモフルオレン, 98+%9-bromo-fluorenAKOS BBS-000044239-Bromofluorene97%9-Bromofluorene >9-Bromofluorene, 98+%

InChI=1/C13H9Br/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,139H-Fluorene, 9-bromo-MFCD00001133EINECS 217-722-99-brom-9H-fluorenNSC12349BR12739-Bromo-9H-fluorene #

データベース識別子

CAS: 1940-57-4
PubChem CID: 16024
DTXSID: DTXSID40173020
UNII: Z497X72T8Q
EC Number: 217-722-9
Nikkaji: J49.644H

物性

構造計算による物性

XLogP: 3.9
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: 191

物理化学的性質

融点: 101 · 101-104 °C(lit.)
沸点: 288.79 °C · 288.79°C (rough estimate)
比重(密度): 1.4187 · 1.4187 (rough estimate)
屈折率: 1.629 · 1.6290 (estimate)
貯蔵温度: Inert atmosphere,Room Temperature
外見: powder to crystal
色: White to Light yellow
水溶解度: 水に不溶。
BRN: 2047220 · 2047220
InChI: 1S/C13H9Br/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13H
InChIKey: AHCDKANCCBEQJJ-UHFFFAOYSA-N
SMILES: BrC1c2ccccc2-c3ccccc13
CAS データベース: 1940 · 1940-57-4(CAS DataBase Reference)
NISTの化学物質情報: 9 H-fluorene, · 9H-fluorene, 9-bromo-(1940-57-4)

化学的性質

化学的特性yellow to beige-orange crystalline powder

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 3 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazard Classes and CategoriesSkin Corr. 1B (100%)

安全データ

wgk: 3
rtecs: LL5890000
ridadr: UN 1759 8/PG 2
毒性: mouse,LD50,intravenous,180mg/kg (180mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01610,
hs_code: 2903.99.8001
risk_code: 34-43
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: III
Hazard Classifications: Skin Corr. 1B
ストレージクラス: 8A - Combustible corrosive hazardous materials