2-브로모티오펜

2-Bromothiophene

HCID 13851CAS 1003-09-4

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

2-BROMOTHIOPHENE1003-09-4Thiophene, 2-bromo-2-Thienyl bromideGFF929NUW7NSC 4456NSC-4456EINECS 213-699-4DTXSID40613892Thienyl bromideThiophene, 2bromoRefChem:467332
이름 더 보기
2-브로모티오펜2-BromthiophenS0502DKIIRINDIP-020forTipepidineThienyl bromide2-bromo-thiophen2-Bromothiaphene
DTXCID7032509213-699-4InChI=1/C4H3BrS/c5-4-2-1-3-6-4/h1-3Thiophene, bromo-Bromothiophene2-bromo-thiophene2-bromo thiopheneMFCD00005417

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

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Thiophenes
SpringerMaterials PropertiesSchoenflies notation
LogP2.75
Physical DescriptionClear slightly brown liquid with a stench; [Acros Organics MSDS]

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

화학적 성질

colorless to light yellow liquid. Soluble in ether and acetone, insoluble in water.

안전 및 규제

GHS 분류

GHS Classification · 4건

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 · 2건

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

Hazards SummaryAn irritant; Highly toxic by skin absorption; Harmful by ingestion and inhalation; Oral LD50 (rat) = 200-250 mg/kg; [Acros Organics MSDS] See 3,4-Dibromothiophene.
Hazard Classes and CategoriesFlam. Liq. 3 (100%)

독성 정보

Toxicity DataLC50 (rat) = 1,040 mg/m3/4hr

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

화학 및 산업

용도 및 제조

General Manufacturing InformationThiophene, 2-bromo-: ACTIVE
응용 분야 · 2건

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 · 1건

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%.

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]

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