2-ブロモ-5-クロロチオフェン

2-Bromo-5-chlorothiophene

HCID 76133CAS 2873-18-9

部分構造検索類似構造を探す

基本情報

標準SMILES: Clc1ccc(Br)s1
InChIKey: ZFAJPWYXLYGUJU-UHFFFAOYSA-N
分子式: C4H2BrClS
平均分子量: 197.48 g/mol
単同位体質量: 195.87491084

名称と識別子

優先名称: 2-Bromo-5-chlorothiophene
IUPAC: 2-bromo-5-chlorothiophene
現地名: 2-ブロモ-5-クロロチオフェン
英語名: 2-Bromo-5-chlorothiophene
分子式: C4H2BrClS
分子量: 197.48

名称と別名

2-Bromo-5-chlorothiophene2873-18-9Thiophene, 2-bromo-5-chloro-2-Chloro-5-bromothiophene5-Bromo-2-chlorothiophene47FH8PL6YTEINECS 220-708-5DTXSID70182887RefChem:466788DTXCID10105378220-708-5MFCD00014523

名称をさらに表示

2-ブロモ-5-クロロチオフェン2-クロロ-5-ブロモチオフェン5-ブロモ-2-クロロチオフェン2-ブロモ-5-クロロチオフェン塩化物臭化物2-ブロモ-5-クロロチオフェン, 97%2-BROMO-5-CHLOROTHIORivaroxaban Impurity 123α-Bromo-α-chlorothiophene2-CHLORO-5-BROMO THIOPHENEThiophene,2-bromo-5-chloro-2-Bromo-5-chlorothiophene 98%2-Bromo-5-chlorothiophene >2-Bromo-5-chlorothiophene,95%

2-bromo-5-chloro-thiopheneUNII-47FH8PL6YT5-bromo-2-chloro-thiopheneBIDD:GT0079SCHEMBL153465SCHEMBL1561502SCHEMBL216814602-Bromo-5-chlorothiophene, 98%

データベース識別子

CAS: 2873-18-9
PubChem CID: 76133
DTXSID: DTXSID70182887
UNII: 47FH8PL6YT
EC Number: 220-708-5
Nikkaji: J306.791B

物性

構造計算による物性

XLogP: 3.6
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: 68.7

実験および物理化学的性質

Chemical ClassesOther Classes -> Thiophenes

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physical DescriptionClear light yellow or pink-orange liquid; [Acros Organics MSDS]

物理化学的性質

融点: -20 °C · -20°C
沸点: 69 · 69-70 °C/18 mmHg (lit.)
比重(密度): 1.803 g/mL · 1.803 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.596(lit.)
闪点: 185 °F · 185 °F
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
外見: 液体
比重: 1.803 · 1.803
色: Light yellow to Brown
BRN: 109897 · 109897
InChI: 1S/C4H2BrClS/c5-3-1-2-4(6)7-3/h1-2H
InChIKey: ZFAJPWYXLYGUJU-UHFFFAOYSA-N
SMILES: Clc1ccc(Br)s1
CAS データベース: 2873 · 2873-18-9(CAS DataBase Reference)

化学的性質

化学的特性CLEAR LIGHT YELLOW TO PINK-ORANGE LIQUID

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (83.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 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

Hazards SummaryMay cause irritation; [Acros Organics MSDS] See Thiophene.

Hazard Classes and CategoriesAcute Tox. 4 (83.3%)

安全データ

wgk: 3
ridadr: NA 1993 / PGIII
hs_code: 29349990
risk_code: 20/21/22-36/37/38
消防法: 危-4-3-III
hazard_code: Xn
hazard_note: Harmful
safety_code: 26-36-24/25
hazard_class: 6.1
ストレージクラス: 10 - Combustible liquids

化学と産業

応用分野 · 2 件

使用2-Bromo-5-chlorothiophene was used in the synthesis of monomer of 1,4-bis(5-chlorothiophene)-buta-1,3-diyne and 5-chloro-2-[(trimethylsilyl)-ethynyl]thiophene.

一般的な説明2-Bromo-5-chlorothiophene is a halogen-substituted thiophene and its photodissociation dynamics was studied by resonance enhanced multiphoton ionization time-of-flight technique. Electrochemical reduction of 2-bromo-5-chlorothiophene at carbon cathode in dimethylformamide containing tetramethylammonium perchlorate was reported.