1,3,5-Triethylbenzene (HCID 7602)

概要

structure in first source

名称と識別子

優先名称: 1,3,5-Triethylbenzene
IUPAC: 1,3,5-triethylbenzene
現地名: 1,3,5-トリエチルベンゼン
英語名: 1,3,5-TRIETHYLBENZENE
分子式: C12H18
分子量: 162.27

名称と別名

1,3,5-TRIETHYLBENZENE102-25-0Benzene, 1,3,5-triethyl-02K328WWZQNSC-406584DTXSID30881228RefChem:72334DTXCID907867203-017-3MFCD00009261UNII-02K328WWZQEINECS 203-017-3

名称をさらに表示

1,3,5-トリエチルベンゼン1,3,5‐トリエチルベンゼン1,3,5-トリエチルベンゼン, 95%1,3,5-triethyl-benzen1,3,5-TriethylSYM-TRIETHYLBENZENEGlycerol Impurity 541,3,5-trierhylbenzeneLABOTEST-BB LT004369841,3,5 threeethylbenzene1,3,5-Triethylbenzene >

NSC4065841,5-TriethylbenzeneNSC 406584AI3-04219Benzene,3,5-triethyl-1,3,5-triethyl-benzene1,3,5-Triethyl benzeneSCHEMBL147391

データベース識別子

CAS: 102-25-0
PubChem CID: 7602
DTXSID: DTXSID30881228
UNII: 02K328WWZQ
EC Number: 203-017-3
Nikkaji: J110.674K

物性

構造計算による物性

XLogP: 4.3
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: 3
重原子数: 12
形式電荷: 0
複雑度: 81.4

実験および物理化学的性質

SpringerMaterials PropertiesDensity

物理化学的性質

融点: -66 °C · -66 °C
沸点: 215 °C · 215 °C (lit.)
比重(密度): 0.862 g/mL · 0.862 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.495(lit.)
闪点: 178 °F · 178 °F
貯蔵温度: Sealed in dry,Room Temperature
外見: clear liquid
色: Colorless to Almost colorless
水溶解度: 水に不溶。アルコール、エーテルに可溶。
BRN: 2039481 · 2039481
Henry's Law Constant: 1 · 1.0×10-3 mol/(m3Pa) at 25℃, Plyasunov and Shock (2000)
InChI: InChI=1S/C12H18/c1-4-10-7-11(5-2)9-12(6-3)8-10/h7-9H,4-6H2,1-3H3
InChIKey: WJYMPXJVHNDZHD-UHFFFAOYSA-N
SMILES: C1(CC)=CC(CC)=CC(CC)=C1
CAS データベース: 102 · 102-25-0(CAS DataBase Reference)
EPAの化学物質情報: 1 · Benzene, 1,3,5-triethyl- (102-25-0)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, 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 46 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationBenzene, 1,3,5-triethyl-: 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 CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
tsca: TSCA listed
ridadr: UN 3082 9/PG 3
hs_code: 2902.90.9000
risk_code: 36/38
化審法: (3)-3427
消防法: 危-4-3-III
hazard_code: Xi
safety_code: 26
hazard_class: 9
packing_group: III
Hazard Classifications: Aquatic Chronic 4Eye Irrit. 2Skin Irrit. 2
ストレージクラス: 10 - Combustible liquids

化学と産業

用途と製造

General Manufacturing InformationBenzene, 1,3,5-triethyl-: ACTIVE

応用分野

使用1,3,5-Triethylbenzene was used as a supramoelcular template to organize molecular-recognition elements. It was also used to synthesize a series of di- and trinucleating ligands.