4-(1-メチルエチル)-9H-チオキサンテン-9-オン

4-Isopropylthioxanthone

HCID 158403CAS 83846-86-0

部分構造検索類似構造を探す

基本情報

標準SMILES: CC(C)c1cccc2c(=O)c3ccccc3sc12
InChIKey: IKVYHNPVKUNCJM-UHFFFAOYSA-N
分子式: C16H14OS
平均分子量: 254.3 g/mol
単同位体質量: 254.07653607

概要

See also: Thioxanthen-9-one, 4-(1-methylethyl)- (annotation moved to).

名称と識別子

優先名称: 4-Isopropylthioxanthone
IUPAC: 4-propan-2-ylthioxanthen-9-one
現地名: 4-(1-メチルエチル)-9H-チオキサンテン-9-オン
英語名: 4-Isopropylthioxanthone
分子式: C16H14OS
分子量: 254.35

名称と別名

4-Isopropylthioxanthone4-Isopropyl-9H-thioxanthen-9-one9H-Thioxanthen-9-one, 4-(1-methylethyl)-4-Isopropyl-thioxanthene-9-onePAF3CW7TJ84-Isopropyl-9-thioxanthoneEINECS 281-065-4DTXSID80868761RefChem:99514DTXCID208168424-(1-Methylethyl)-9H-thioxanthen-9-one83846-86-0

名称をさらに表示

4-(1-メチルエチル)-9H-チオキサンテン-9-オン4-イソプロピル-9H-チオキサンテン-9-オン4-イソプロピルチオキサントン4-(プロパン-2-イルスルファニル)-9H-キサンテン-9-オン4-(プロパン-2-イル)-9H-チオキサンテン-9-オンITX4-IsopropylthioxanthISOPROPYLTHIOXANTHONE4-ISOPROPYLTHIOXANTHONE 98+%

4-propan-2-ylthioxanthen-9-oneMFCD001922474-(propan-2-yl)-9H-thioxanthen-9-one9H-Thioxanthen-9-one,4-(1-methylethyl)-4-Isopropylthioxanthen-9-one4-(1-Methylethyl)-9H-thioxanthen-9-one; 4-(1-Methylethyl)-9H-thioxanthen-9-one; 4-Isopropyl-9-thioxanthone; 4-Isopropyl-9H-thioxanthen-9-one; 4-Isopropylthioxanthone4-IsopropylthioxantoneUNII-PAF3CW7TJ8

データベース識別子

CAS: 83846-86-0
PubChem CID: 158403
DTXSID: DTXSID80868761
UNII: PAF3CW7TJ8
EC Number: 281-065-4
Nikkaji: J326.911F

物性

構造計算による物性

XLogP: 4.6
極性表面積: 42.4 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 18
形式電荷: 0
複雑度: 325

実験および物理化学的性質

Endocrine DisruptorsPotential endocrine disrupting compound

物理化学的性質

融点: 107 · 107-109°C
沸点: 391 · 391.0±32.0 °C(Predicted)
比重(密度): 1.199 · 1.199±0.06 g/cm3(Predicted)
貯蔵温度: Refrigerator
溶解性: クロロホルム（微量）、酢酸エチル（微量）
色: ペールイエロー
主な用途: 環境
InChI: 1S/C16H14OS/c1-10(2)11-7-5-8-13-15(17)12-6-3-4-9-14(12)18-16(11)13/h3-10H,1-2H3
InChIKey: IKVYHNPVKUNCJM-UHFFFAOYSA-N
SMILES: CC(C)c1cccc2C(=O)c3ccccc3Sc12
CAS データベース: 83846 · 83846-86-0(CAS DataBase Reference)
EPAの化学物質情報: 9 H-Thioxanthen-9-one, · 9H-Thioxanthen-9-one, 4-(1-methylethyl)- (83846-86-0)

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 64.2% (95 of 148) of all reports.

Warning

H302 (35.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 148 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information9H-Thioxanthen-9-one, 4-(1-methylethyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesAcute Tox. 4 (35.1%)

安全データ

wgk: 3
tsca: TSCA listed
risk_code: 22
hazard_code: Xn
Hazard Classifications: Aquatic Acute 1Aquatic Chronic 1Repr. 2
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

General Manufacturing Information9H-Thioxanthen-9-one, 4-(1-methylethyl)-: ACTIVE

応用分野

使用4-Isopropylthioxanthone is a thioxanthone derivative useful as photoinitiators.

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