2,2′:5′,2′′-터티오펜

2,2':5',2''-Terthiophene

HCID 65067CAS 1081-34-1

기본 정보

표준 SMILES
c1csc(-c2ccc(-c3cccs3)s2)c1
InChIKey
KXSFECAJUBPPFE-UHFFFAOYSA-N
분자식
C12H8S3
평균 분자량
248.4 g/mol
단동위원소 질량
247.97881326

개요

2,2':5',2''-terthiophene is a terthiophene.

이름 및 식별자

우선 이름
2,2':5',2''-Terthiophene
IUPAC
2,5-dithiophen-2-ylthiophene
현지명
2,2′:5′,2′′-터티오펜
영어명
2,2':5',2''-Terthiophene
분자식
C12H8S3
분자량
248.39

이름 및 동의어

2,2':5',2''-Terthiophene1081-34-1alpha-Terthienyl2,2',5',2''-Terthienyl2,5-dithiophen-2-ylthiophene0P77RAU2RRCHEBI:103352,2,5,2''-terthiopheneRefChem:555954640-441-1alpha-Terthiophene2,5-Di(2-thienyl)thiophene
이름 더 보기
2,2':5',2-터티오펜2,2′:5′,2′′-터티오펜2,2':5',2"-터티오펜α-TerthiopheneterthienylTERTHIOPHENE3THTThS11302,2':5'2,2':5',2a-Terthienyl5-BroMo-[2,2'
2,5-bis(2-thienyl)thiopheneMFCD00012167C12H8S35-(thiophen-2-yl)-2,2'-bithiopheneDTXSID20412062,2:5,2-Terthiophene.alpha.-Terthienyl2,2':5'2''-Terthiophene

데이터베이스 식별자

CAS
1081-34-1
PubChem CID
65067
DTXSID
DTXSID2041206
ChEMBL
CHEMBL90017
ChEBI
CHEBI:10335
UNII
0P77RAU2RR
EC Number
640-441-1
Nikkaji
J102.960F

물성

구조 계산 물성

XLogP
4.4
극성 표면적
84.7 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
2
무거운 원자 수
15

실험 및 물리화학적 성질

SpringerMaterials PropertiesAngular frequency
Collision Cross Section146.4 Ų [M]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID2041206]

물리화학적 성질

녹는점
93 · 93-95 °C(lit.)
끓는 점
160 °C · 160 °C (0.1 mmHg)
밀도
1.4602 · 1.4602 (rough estimate)
굴절률
1.62 · 1.6200 (estimate)
인화점
160 °C/0.1mm · 160°C/0.1mm
저장 조건
Keep in dark place,Sealed in dry,Room Temperature

화학적 성질

YELLOW TO YELLOW-BROWN POWDER

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 50% (2 of 4) of reports.

Warning

H315 (25%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (25%)

안전 데이터

wgk
3
rtecs
WZ9717750
HS 번호
29349990
risk_code
36/37/38
safety_code
22-24/25
F 고인화성물질
8-10

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 4건

Substances that prevent infectious agents or organisms from spreading or kill infectious agents in order to prevent the spread of infection.

Agents used in the prophylaxis or therapy of VIRUS DISEASES. Some of the ways they may act include preventing viral replication by inhibiting viral DNA polymerase; binding to specific cell-surface receptors and inhibiting viral penetration or uncoating; inhibiting viral protein synthesis; or blocking late stages of virus assembly.

Pesticides designed to control insects that are harmful to man. The insects may be directly harmful, as those acting as disease vectors, or indirectly harmful, as destroyers of crops, food products, or textile fabrics.

Drugs that are pharmacologically inactive but when exposed to ultraviolet radiation or sunlight are converted to their active metabolite to produce a beneficial reaction affecting the diseased tissue. These compounds can be administered topically or systemically and have been used therapeutically to treat psoriasis and various types of neoplasms.

용도 및 제조

UsesSynthetic Polymer MALDI Matrix Compounds
응용 분야 · 2건

용도α-Terthienyl was first recognized as a nematicidal constituent of marigolds, but in the presence of light, it is also highly toxic to larvae of several insect species, including mosquitoes. This electron donor thiophenederivative phototoxin is biosynthesized from polyacetylene precursors and appears to function as a photosensitizer catalyzing the formation of reactive oxygen species at the target site (25).

일반 설명2,2′:5′,2′′-Terthiophene (TTh) may be prepared by nickel catalysed coupling reaction of grignard′s reagent derived from 2-bromothiophene and magnesium. It generates singlet oxygen. In nature, it is found in the floral extract of Tagetes minuta and Echinops grijisii. It is known to be toxic to mosquitoes. It also exihibits antifungal activity.

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [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]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]

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10건

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