9-(Chloromethyl)anthracene (HCID 32385)

名称と識別子

優先名称: 9-(Chloromethyl)anthracene
IUPAC: 9-(chloromethyl)anthracene
現地名: 9-クロロメチルアントラセン
英語名: 9-(Chloromethyl)anthracene
分子式: C15H11Cl
分子量: 226.7

名称と別名

9-(Chloromethyl)anthracene24463-19-29-ChloromethylanthraceneAnthracene, 9-(chloromethyl)-8C4ZDD4KUVANTHRACENE, 9-CHLOROMETHYL-NSC-241165DTXSID00179220RefChem:107700DTXCID30101711246-274-79-Anthracenylmethyl chloride

名称をさらに表示

9-クロロメチルアントラセン(9-アントリルメチル)クロリド9-(クロロメチル)アントラセン(9-アントリル)メチルクロリド9-クロロメチルアンスラセン9‐(クロロメチル)アントラセン10-(クロロメチル)アントラセンicr4489-Chlormethyl-anthracen9-chloromethyl-anthracen9-(choromethyl)anthracene9-(chloroMethyl)antracene(9-Anthrylmethyl) chloride(9-Anthryl)methyl chloride

C15H11ClMFCD00001263ICR 4489-ChloromethyanthraceneCCRIS 7993EINECS 246-274-79-chloromethyl-anthraceneNSC 241165

データベース識別子

CAS: 24463-19-2
PubChem CID: 32385
DTXSID: DTXSID00179220
ChEMBL: CHEMBL1446266
UNII: 8C4ZDD4KUV
EC Number: 246-274-7
Nikkaji: J3.795H

物性

構造計算による物性

XLogP: 5.1
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: 1
重原子数: 16
形式電荷: 0
複雑度: 216

物理化学的性質

融点: 138 · 138-140 °C (lit.)
沸点: 294.66 °C · 294.66°C (rough estimate)
比重(密度): 1.151 · 1.1510 (rough estimate)
屈折率: 1.6281 · 1.6281 (estimate)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
溶解性: クロロホルム：可溶
外見: 粉
色: 黄色
水溶解度: クロロホルムに可溶。水に不溶。
BRN: 1873394 · 1873394
InChI: InChI=1S/C15H11Cl/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-9H,10H2
InChIKey: PCVRSXXPGXRVEZ-UHFFFAOYSA-N
SMILES: C1=C2C(C=C3C(=C2CCl)C=CC=C3)=CC=C1
CAS データベース: 24463 · 24463-19-2(CAS DataBase Reference)
NISTの化学物質情報: 9 · 9-(Chloromethyl)anthracene(24463-19-2)

化学的性質

化学的特性YELLOW POWDER

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H314 (16.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationAnthracene, 9-(chloromethyl)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Corr. 1B (16.7%)

安全データ

F: 19
wgk: 3
rtecs: CA9600000
ridadr: UN 3261 8/PG 2
毒性: mouse,LDLo,intravenous,2267ug/kg (2.267mg/kg),Cancer Research. Vol. 36, Pg. 2423, 1976.
hs_code: 29039990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
hazard_class: 8
packing_group: III
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 8A - Combustible corrosive hazardous materials

化学と産業

応用分野 · 2 件

用途カルボン酸、フェノール類の保護試薬、有機合成原料。

使用9-(Chloromethyl)anthracene is used as a blocking group reagent used for carboxylic acids, phenols, mercaptans and thiophenols. It is a derivatizing agent for carboxylic acids giving esters with enhanced UV and fluorescence detection in HPLC.

調製方法 · 1 件

純化方法If it is free from OH in the IR then recrystallisation from hexane/*C6H6 or *C6H6 (as needles). If OH is present, then some solvolysis has occurred. In this case treat 8.5g of it with SOCl2 (4.8g) in dioxane (60mL) and reflux for 5hours, then evaporate to dryness and wash the residue with cold *C6H6 and recrystallise it. With KI/Me2CO it forms the iodomethyl derivative. [Fierens et al. Helv Chim Acta 38 2009 1955, Hunter et al. J Org Chem 21 1512 1956, Beilstein 5 III 3152, 5 IV 2313.]