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
이름 더 보기
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
- 형식 전하
- 0
- 복잡도
- 197
실험 및 물리화학적 성질
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
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 색상
- 연노랑
- 수용성
- 물에 불용성.
- Merck
- 14 · 14,9174
- BRN
- 178604 · 178604
- InChI
- InChI=1S/C12H8S3/c1-3-9(13-7-1)11-5-6-12(15-11)10-4-2-8-14-10/h1-8H
- InChIKey
- KXSFECAJUBPPFE-UHFFFAOYSA-N
- SMILES
- C1(C2SC(C3SC=CC=3)=CC=2)SC=CC=1
- EPA
- .alpha.-Terthiophene (1081-34-1)
화학적 성질
YELLOW TO YELLOW-BROWN POWDER
안전 및 규제
GHS 분류
GHS Classification
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
안전 데이터
- wgk
- 3
- rtecs
- WZ9717750
- HS 번호
- 29349990
- risk_code
- 36/37/38
- safety_code
- 22-24/25
- F 고인화성물질
- 8-10
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
MeSH Pharmacological Classification
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
응용 분야
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.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
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