기본 정보
- 표준 SMILES
Brc1cccs1- InChIKey
TUCRZHGAIRVWTI-UHFFFAOYSA-N- 분자식
- C4H3BrS
- 평균 분자량
- 163.04 g/mol
- 단동위원소 질량
- 161.9138832
이름 및 식별자
- 우선 이름
- 2-Bromothiophene
- IUPAC
- 2-bromothiophene
- 현지명
- 2-브로모티오펜
- 영어명
- 2-Bromothiophene
- 분자식
- C4H3BrS
- 분자량
- 163.04
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
1003-09-4、60326-18-3- PubChem CID
- 13851
- DTXSID
DTXSID4061389- UNII
- GFF929NUW7
- EC Number
- 213-699-4
- Nikkaji
- J101.470F
물성
구조 계산 물성
- XLogP
- 2.8
- 극성 표면적
- 28.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 6
- 형식 전하
- 0
- 복잡도
- 46.8
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- -10 °C · -10 °C
- 끓는 점
- 149 · 149-151 °C (lit.)
- 밀도
- 1.684 g/mL · 1.684 g/mL at 25 °C (lit.)
- 굴절률
- 20 · n20/D 1.586(lit.)
- 인화점
- 140 °F · 140 °F
- 저장 조건
- 2 · 2-8°C
- 물리적 상태
- 액체
- Specific Gravity
- 1.684 · 1.684
- 색상
- 투명한 무색~약간 갈색을 띤다.
- 수용성
- 섞일 수 없음
- BRN
- 104663 · 104663
- InChI
- 1S/C4H3BrS/c5-4-2-1-3-6-4/h1-3H
- InChIKey
- TUCRZHGAIRVWTI-UHFFFAOYSA-N
- SMILES
- Brc1cccs1
- NIST
- 2 · Thiophene, 2-bromo-(1003-09-4)
- EPA
- 2 · Thiophene, 2-bromo- (1003-09-4)
화학적 성질
colorless to light yellow liquid. Soluble in ether and acetone, insoluble in water.
안전 및 규제
GHS 분류
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.
유해성 정보
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
독성 정보
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2929 6.1/PG 2
- HS 번호
- 29349990
- risk_code
- 10-25-41-51/53-36/37/38-23/24-22-20/21/22
- hazard_code
- T,N,Xn
- safety_code
- 26-36/37/39-45-61-16-36
- 포장분류
- II
- 위험 등급
- 6.1
- 기존화학 물질
- KE-03715
- F 고인화성물질
- 8
- 위험 참고 사항
- Irritant
- Hazard Classifications
- Acute Tox. 2 OralEye Dam. 1Flam. Liq. 3
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
용도 및 제조
응용 분야
용도2-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.
일반 설명2-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.
제조 방법
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%.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
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