2-Bromo-5-chlorothiophene (HCID 76133)

이름 및 식별자

우선 이름: 2-Bromo-5-chlorothiophene
IUPAC: 2-bromo-5-chlorothiophene
영어명: 2-Bromo-5-chlorothiophene
분자식: C4H2BrClS
분자량: 197.48

이름 및 동의어

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

이름 더 보기

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%

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 3.6
극성 표면적: 28.2 Å²
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

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Thiophenes

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

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

물리화학적 성질

녹는점: -20 °C · -20°C
끓는 점: 69 · 69-70 °C/18 mmHg (lit.)
밀도: 1.803 g/mL · 1.803 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.596(lit.)
인화점: 185 °F · 185 °F
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
물리적 상태: 액체
Specific Gravity: 1.803 · 1.803
색상: 밝은 노란색에서 갈색까지
BRN: 109897 · 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

GHS Classification · 4건

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.

유해성 정보

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

Hazard Classes and CategoriesAcute Tox. 4 (83.3%)

안전 데이터

wgk: 3
ridadr: NA 1993 / PGIII
HS 번호: 29349990
risk_code: 20/21/22-36/37/38
hazard_code: Xn
safety_code: 26-36-24/25
위험 등급: 6.1
위험 참고 사항: Harmful
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 2건

용도2-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 설명2-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.