3-브로모티오펜

3-Bromothiophene

HCID 13383CAS 872-31-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Brc1ccsc1
InChIKey: XCMISAPCWHTVNG-UHFFFAOYSA-N
분자식: C4H3BrS
평균 분자량: 163.04 g/mol
단동위원소 질량: 161.9138832

이름 및 식별자

우선 이름: 3-Bromothiophene
IUPAC: 3-bromothiophene
현지명: 3-브로모티오펜
영어명: 3-Bromothiophene
분자식: C4H3BrS
분자량: 163.04

이름 및 동의어

3-BROMOTHIOPHENEThiophene, 3-bromo-3-Thienyl bromide3-Bromothiofuranbeta-Bromothiophene.beta.-BromothiopheneEINECS 212-821-3NSC 96612G818Z74YV0NSC-96612UNII-G818Z74YV0DTXSID2022129

이름 더 보기

3-브로모티오펜S0501DK9383-Bromthiophenβ-bromothiophene3-bromo-thiophenb-BromothiopheneBROMOTHIOPHENE(3-)

RefChem:93270DTXCID602129212-821-3InChI=1/C4H3BrS/c5-4-1-2-6-3-4/h1-3XCMISAPCWHTVNG-UHFFFAOYSA-N872-31-13-BROMO THIOPHENE3-bromo-thiophene

데이터베이스 식별자

CAS: 872-31-1
PubChem CID: 13383
DTXSID: DTXSID2022129
UNII: G818Z74YV0
EC Number: 212-821-3
Nikkaji: J25.465G

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 28.2 Å²
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

SpringerMaterials PropertiesCoriolis coupling

LogP2.59

물리화학적 성질

녹는점: -10 °C · <-10°C
끓는 점: 150 °C · 150 °C (lit.)
밀도: 1.74 g/mL · 1.74 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.591(lit.)
인화점: 140 °F · 140 °F
저장 조건: 2 · Keep in dark place,Sealed in dry,2-8°C
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 액체
Specific Gravity: 1.74 · 1.740
색상: 무색투명~미황색
수용성: 섞일 수 없음
BRN: 105338 · 105338
InChI: 1S/C4H3BrS/c5-4-1-2-6-3-4/h1-3H
InChIKey: XCMISAPCWHTVNG-UHFFFAOYSA-N
SMILES: Brc1ccsc1
NIST: 3 · Thiophene, 3-bromo-(872-31-1)
EPA: 3 · 3-Bromothiophene (872-31-1)

화학적 성질

clear colourless to slightly yellow liquid. It is not soluble in water, but can dissolve in common organic solvents such as chloroform, benzene, ether, and tetrahydrofuran.

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H226 (95.7%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 92 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information3-Bromothiophene: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 3 (95.7%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 2929 6.1/PG 2
HS 번호: 29349990
risk_code: 10-25-41-51/53-36/37/38-23/24/25-20/21/22-43-36/37
hazard_code: T,Xi,N,Xn
safety_code: 26-36/37/39-45-61-38-28A-16-24/25-23-36-36/37-24/35
포장분류: II
위험 등급: 6.1
F 고인화성물질: 8
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 1 InhalationAcute Tox. 2 DermalAcute Tox. 3 OralAquatic Chronic 2Eye Irrit. 2Flam. Liq. 3Skin Sens. 1STOT SE 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationThiophene, 3-bromo-: ACTIVE

응용 분야

용도3-Bromothiophene is used in the preparation of derivatives such as thienylenic alpha, μ-diformyl-alpha-oligothiophenes and 3-lithiothiophene. It is also used in the synthesis of 3-lithiothiophene by reacting with n-butyllithium.

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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