2-Bromo-5-chlorothiophene
2-BROMO-5-CHLOROTHIO · Rivaroxaban Impurity 123 · α-Bromo-α-chlorothiophene · 2-Bromo-5-chlorothiophene · 2-CHLORO-5-BROMO THIOPHENE · Thiophene,2-bromo-5-chloro- · Thiophene, 2-bromo-5-chloro- · 2-Bromo-5-chlorothiophene 98%
식별자 및 물리적 특성
| CAS No. | 2873-18-9 |
|---|---|
| 분자식 | C4H2BrClS |
| 평균 분자량 | 197.48 g/mol |
| 단동위원소 질량 | 195.87491084 g/mol |
| SMILES | Clc1ccc(Br)s1 |
| InChIKey | ZFAJPWYXLYGUJU-UHFFFAOYSA-N |
| PubChem CID | 76133 |
| EC No. | 220-708-5 |
| DTXSID | DTXSID70182887 |
화학 및 물리적 성질
| XLogP | 3.6 |
|---|---|
| 극성 표면적 | 28.2 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 7 |
| 형식 전하 | 0 |
| 복잡도 | 68.7 |
| 물질 분류 | Other Classes -> Thiophenes |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| Physical Description | Clear light yellow or pink-orange liquid[Acros Organics MSDS] |
| 녹는점 | -20°C |
| 끓는 점 | 69-70 °C/18 mmHg (lit.) |
| 밀도 | 1.803 g/mL at 25 °C (lit.) |
| 굴절률 | n20/D 1.596(lit.) |
| 인화점 | 185 °F |
| 저장 조건 | under inert gas (nitrogen or Argon) at 2–8 °C |
| 물리적 상태 | 액체 |
| 비중 | 1.803 |
| 색상 | 밝은 노란색에서 갈색까지 |
| BRN | 109897 |
| InChI | 1S/C4H2BrClS/c5-3-1-2-4(6)7-3/h1-2H |
| InChIKey | ZFAJPWYXLYGUJU-UHFFFAOYSA-N |
| SMILES | Clc1ccc(Br)s1 |
화학적 성질
CLEAR LIGHT YELLOW TO PINK-ORANGE LIQUID
안전 및 규제
| GHS 분류 | WarningH302 (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. |
|---|---|
| 유해성 요약 | May cause irritation[Acros Organics MSDS] See Thiophene. |
| Hazard Classes and Categories | Acute Tox. 4 (83.3%) |
| 수질 위해 등급(WGK) | 3 |
| 운송 번호(UN) | NA 1993 / PGIII |
| 관세 코드 | 29349990 |
| 위험 문구(R) | 20/21/22-36/37/38 |
| 위험 표시 | Xn |
| 안전 문구(S) | 26-36-24/25 |
| 위험 등급 | 6.1 |
| 위험 참고 사항 | Harmful |
| 저장 분류 | 10 - Combustible liquids |
용도
용도
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.
일반 설명
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.