CAS 14282-76-9 2-Bromo-3-methylthiophene (HCID 84314)

名称と識別子

優先名称: 2-Bromo-3-methylthiophene
IUPAC: 2-bromo-3-methylthiophene
現地名: 2-ブロモ-3-メチルチオフェン
英語名: 2-Bromo-3-methylthiophene
分子式: C5H5BrS
分子量: 177.06

名称と別名

2-Bromo-3-methylthiophene14282-76-9Thiophene, 2-bromo-3-methyl-EINECS 238-175-2DTXSID20162194RefChem:85683DTXCID1084685238-175-2YYJBWYBULYUKMR-UHFFFAOYSA-N2-bromo-3-methyl-thiopheneMFCD000597412-Bromo-3-methylthiophene-d3

名称をさらに表示

2-ブロモ-3-メチルチオフェン3-メチル-2-ブロモチオフェン2-ブロモ-3-メチルチオフェン臭化物２ブロモ３メチルチオフェン2-ブロモ-3-メチルチオフェン, 97%2B3MT178.04TH1-Br2-Bromo-3-methylthio2-bromo-3-methyltiophene3-Methyl-2-bromothiopheneThiophene,2-bromo-3-methyl-2-Bromo-3-methylthiophene>2-Bromo-3-methylthiophene 97%

2-bromo-3-methythiopheneSCHEMBL438162-Bromo-3-methylthiophene #BIDD:GT0358SCHEMBL694060SCHEMBL32865382-Bromo-3-methylthiophene, 95%SBB089226

データベース識別子

CAS: 14282-76-9
PubChem CID: 84314
DTXSID: DTXSID20162194
EC Number: 238-175-2
Nikkaji: J149.674C

物性

構造計算による物性

XLogP: 3
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: 65.1

実験および物理化学的性質

SpringerMaterials PropertiesOptical coefficient

物理化学的性質

融点: 25 °C · <25 °C
沸点: 173 · 173-176 °C (lit.)
比重(密度): 1.572 g/mL · 1.572 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.572(lit.)
闪点: 155 °F · 155 °F
貯蔵温度: 2 · 2-8°C
水溶解度: Insoluble in water
溶解性: soluble in Chloroform, Ethyl Acetate
外見: liquid
色: Pale yellow
比重: 1.58 · 1.580
BRN: 105719 · 105719
InChI: InChI=1S/C5H5BrS/c1-4-2-3-7-5(4)6/h2-3H,1H3
InChIKey: YYJBWYBULYUKMR-UHFFFAOYSA-N
SMILES: C1(Br)SC=CC=1C
CAS データベース: 14282 · 14282-76-9(CAS DataBase Reference)
NISTの化学物質情報: 2 · Thiophene, 2-bromo-3-methyl-(14282-76-9)

化学的性質

化学的特性clear colorless to light yellow liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (97.8%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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 4 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 CategoriesAcute Tox. 4 (97.8%)

安全データ

wgk: 3
ridadr: UN 2810
hs_code: 29349990
risk_code: 25-41-43-36/37/38-20/21/22
化審法: (5)-6412
消防法: 危-4-2-III
hazard_code: T,Xi,Xn
hazard_note: Harmful
safety_code: 26-36/37/39-45
hazard_class: 6.1
packing_group: III

化学と産業

応用分野 · 3 件

用途有機合成原料。

使用2-Bromo-3-methylthiophene was used in the preparation of poly(3,3′′′-dimethyl-(2,2′:5′,2′:5′,2′′′)tetrathiophene)). It was also used in the preparation of 2-bromo-3-(bromomethyl)thiophene, lachrymatory compound.

一般的な説明2-Bromo-3-methylthiophene is formed (approx. 90%) by bromination of 3-methyl thiophene with N-bromosuccinimide in the absence of benzoyl peroxide.

調製方法 · 1 件

製造方法2-Bromo-3-methylthiophene synthesis: To a solution of glacial AcOH (100 mL), acetic anhydride (4.0 g, 0.039 mol), and 3-methylthiophene (9.82 g, 0.100 mol) as a stirred mixture was added NBS (19.6 g, 0.11 mol) in one portion with a slight exotherm to 44 oC. After 20 min the reaction mixture was poured onto ice, neutralized with sodium bisulfite and extracted with ether. The ether layer was washed with water and concentrated to give 11.3 g (64%) of 2-bromo-3-methylthiophene as a tan colored liquid in 88% purity by GC area % analysis: 1H NMR (CDCl3) d 7.1 (d, 1H, J=5.7 Hz), 6.7 (d, 1H, J=5.9 Hz), 2.2 (s, 3H).