基本情報
- CAS
1003-09-4- 標準SMILES
Brc1cccs1- InChIKey
TUCRZHGAIRVWTI-UHFFFAOYSA-N- 分子式
- C4H3BrS
- 平均分子量
- 163.04 g/mol
- 単同位体質量
- 161.9138832
名称と識別子
- 優先名称
- 2-Bromothiophene
- IUPAC
- 2-bromothiophene
- 現地名
- 2-ブロモチオフェン
- 英語名
- 2-Bromothiophene
- 分子式
- C4H3BrS
- 分子量
- 163.04
名称と別名
名称をさらに表示
データベース識別子
- CAS
1003-09-4、60326-18-3- PubChem CID
- 13851
- DTXSID
DTXSID4061389- UNII
- GFF929NUW7
- EC Number
- 213-699-4
- Nikkaji
- J101.470F
物性
構造計算による物性
- XLogP
- 2.8
- 極性表面積
- 28.2 Ų
- 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
- 6
- 形式電荷
- 0
- 複雑度
- 46.8
実験および物理化学的性質
物理化学的性質
- 融点
- -10 °C · -10 °C
- 沸点
- 149 · 149-151 °C (lit.)
- 比重(密度)
- 1.684 g/mL · 1.684 g/mL at 25 °C (lit.)
- 屈折率
- 20 · n20/D 1.586(lit.)
- 闪点
- 140 °F · 140 °F
- 貯蔵温度
- 2 · 2-8°C
- 外見
- 液体
- 比重
- 1.684 · 1.684
- 色
- 無色透明~やや茶褐色
- 水溶解度
- 混和しない
- BRN
- 104663 · 104663
- InChI
- 1S/C4H3BrS/c5-4-2-1-3-6-4/h1-3H
- InChIKey
- TUCRZHGAIRVWTI-UHFFFAOYSA-N
- SMILES
- Brc1cccs1
- CAS データベース
- 1003 · 1003-09-4(CAS DataBase Reference)
- NISTの化学物質情報
- 2 · Thiophene, 2-bromo-(1003-09-4)
- EPAの化学物質情報
- 2 · Thiophene, 2-bromo- (1003-09-4)
化学的性質
化学的特性colorless to light yellow liquid. Soluble in ether and acetone, insoluble in water.
安全と法規制
GHS分類
GHS Classification
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 78 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Status: Active Update: 03-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/20637
2-Bromothiophene: Does not have an individual approval but may be used under an appropriate group standard
毒性情報
安全データ
- F
- 8
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2929 6.1/PG 2
- hs_code
- 29349990
- risk_code
- 10-25-41-51/53-36/37/38-23/24-22-20/21/22
- 化審法
- (9)-2166
- 消防法
- 危-4-2-III
- hazard_code
- T,N,Xn
- hazard_note
- Irritant
- safety_code
- 26-36/37/39-45-61-16-36
- hazard_class
- 6.1
- packing_group
- II
- Hazard Classifications
- Acute Tox. 2 OralEye Dam. 1Flam. Liq. 3
- ストレージクラス
- 3 - Flammable liquids
化学と産業
用途と製造
応用分野
使用2-Bromothiophene has been used in electrochemical reduction of a number of mono- and dihalothiophenes at carbon cathodes in dimethylformamide containing tetramethylammonium per chlorate by cyclic voltammetry and controlled-potential electrolysis.
一般的な説明2-Bromothiophene undergoes metalation-alkylation reaction with various electrophiles to form various 5-alkylated 2-bromo products. It undergoes coupling with 4-bromo allyl phenyl ether to form allyl phenyl thiophene ether, which is a novel potential dielectric material for organic thin film transistors.
調製方法
製造方法2-Bromothiophene is synthesized by bromination of thiophene, which is achieved through the following steps: dissolve thiophene in acetic acid, and add bromine in glacial acetic acid solution below 10°C. Water was added to the reaction mixture to precipitate an oily liquid. Extract with ether. Add potassium carbonate to the extract to remove acetic acid, dry it, distill off the ether, and then conduct vacuum distillation to collect fractions at 42-46°C (1.73kPa) to obtain 2-bromothiophene with a yield of 55%.
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