2,3-ジメチルチオフェン

2,3-Dimethylthiophene

HCID 34295

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 632-16-6
標準SMILES: Cc1ccsc1C
InChIKey: BZYUMXXOAYSFOW-UHFFFAOYSA-N
分子式: C6H8S
平均分子量: 112.19 g/mol
単同位体質量: 112.03467126

名称と識別子

優先名称: 2,3-Dimethylthiophene
IUPAC: 2,3-dimethylthiophene
現地名: 2,3-ジメチルチオフェン
英語名: 2,3-Dimethylthiophene
分子式: C6H8S
分子量: 112.19

名称と別名

2,3-Dimethylthiophene632-16-6Thiophene, 2,3-dimethyl-2,3-dimethyl-thiopheneVJY61TQ8W6EINECS 211-170-2UNII-VJY61TQ8W6DTXSID50212550RefChem:81870DTXCID80135041211-170-2BZYUMXXOAYSFOW-UHFFFAOYSA-N

名称をさらに表示

2,3-ジメチルチオフェン2，3ジメチルチオフェン2,3‐ジメチルチオフェン2,3-ジメチルチオフェン, IN ISOOCTANE (1000ΜG/ML)2,3-ジメチルチオフェン, 97%thioxeneDimethylthiopene2,3-Dimethylthiophene,97%2,3-DiMethylthiophene, 97% 1GR2,3-Dimethylthiophene in isooctane2,3-Dimethylthiophene ISO 9001：2015 REACH

MFCD001300812.3-DimethylthiopheneDIMETHYLTHIOPHENE2,3-dirnethylthiophene2,3-dimethyl thiophene2,3- dimethyl-thiopheneSCHEMBL113923SCHEMBL129047

データベース識別子

CAS: 632-16-6
PubChem CID: 34295
DTXSID: DTXSID50212550
UNII: VJY61TQ8W6
EC Number: 211-170-2
Nikkaji: J110.440C

物性

構造計算による物性

XLogP: 2.4
極性表面積: 28.2 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 7
形式電荷: 0
複雑度: 61.2

実験および物理化学的性質

SpringerMaterials PropertiesOptical coefficient

Boiling Point138.00 to 140.00 °C. @ 760.00 mm Hg

Melting Point-49 °C

Physical DescriptionLiquid

物理化学的性質

融点: -49 °C · -49°C
沸点: 140 · 140-141 C
比重(密度): 1.002 g/cm · 1.002 g/cm
屈折率: 1.517 · 1.517-1.521
闪点: 26 ° · 26° (79°F)
貯蔵温度: Flammables area
溶解性: クロロホルム、メタノール（微量）
外見: 液体
色: 無色透明～黄色
水溶解度: 水に不溶。
Henry's Law Constant: 1.5 · 1.5×10-3 mol/(m3Pa) at 25℃, Yaws et al. (2003)
InChI: InChI=1S/C6H8S/c1-5-3-4-7-6(5)2/h3-4H,1-2H3
InChIKey: BZYUMXXOAYSFOW-UHFFFAOYSA-N
SMILES: C1(C)SC=CC=1C
LogP: 2.502 · 2.502 (est)
CAS データベース: 632 · 632-16-6(CAS DataBase Reference)
NISTの化学物質情報: 2 · Thiophene, 2,3-dimethyl-(632-16-6)

化学的性質

化学的特性clear colorless to yellow liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H225 (25%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesFlam. Liq. 2 (25%)

安全データ

ridadr: UN1993
hs_code: 29349990
risk_code: 20/21/22-11-36/37/38
hazard_code: Xn-F,Xi,Xn,F
hazard_note: Irritant
safety_code: 9-36/37-33-16-26
hazard_class: 3

化学と産業

薬理情報

Cellular LocationsMembrane

応用分野

使用It has also been found that 2,3-dimethylthiophene can be formylated to yield a dimethylthiophene aldehyde, which as expected proved to have the aldehyde group in the free a-position.