기본 정보
- CAS
3319-99-1- 표준 SMILES
c1ccc(-c2cccs2)nc1- InChIKey
QLPKTAFPRRIFQX-UHFFFAOYSA-N- 분자식
- C9H7NS
- 평균 분자량
- 161.23 g/mol
- 단동위원소 질량
- 161.0299204
이름 및 식별자
- 우선 이름
- 2-(2'-Thienyl)pyridine
- IUPAC
- 2-thiophen-2-ylpyridine
- 현지명
- 2-(2-티에닐)피리딘
- 영어명
- 2-(2-THIENYL)PYRIDINE
- 분자식
- C9H7NS
- 분자량
- 161.22
이름 및 동의어
2-(2'-Thienyl)pyridineRefChem:4544602-(Thiophen-2-yl)pyridine2-(2-Thienyl)pyridine3319-99-12-thien-2-ylpyridine2-thiophen-2-ylpyridine2-(2-Pyridyl)thiophene2-thiophen-2-yl-pyridineMFCD00044441Pyridine, 2-(2-thienyl)-2-(thien-2-yl)pyridine
이름 더 보기
2-(2-티에닐)피리딘AKOS BAR-1355BUTTPARK 37\04-102-(2-Thienyl)pyridin2'-(2-thienyl)pyridine2-(2-Pyridinyl)thiophene
thienyl pyridine2-thienylpyridineEINECS 222-022-12-Pyrid-2-ylthiopheneSCHEMBL36011MLS000861939SCHEMBL295633SCHEMBL1201661
데이터베이스 식별자
- CAS
3319-99-1- PubChem CID
- 76832
- DTXSID
DTXSID90186842- ChEMBL
CHEMBL1883714- EC Number
- 222-022-1
- Nikkaji
- J150.008B
물성
구조 계산 물성
- XLogP
- 2.2
- 극성 표면적
- 41.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 127
실험 및 물리화학적 성질
Solubility1.9 [ug/mL] (The mean of the results at pH 7.4)
물리화학적 성질
- 녹는점
- 61 · 61-63°C
- 끓는 점
- 140 °C/16mmHg · 140°C/16mmHg(lit.)
- 밀도
- 1.173 · 1.173±0.06 g/cm3(Predicted)
- 저장 조건
- Keep in dark place,Sealed in dry,Room Temperature
- 용해도
- 메탄올에 용해됨
- 물리적 상태
- powder to crystal
- 산도 계수 (pKa)
- 4.51 · 4.51±0.10(Predicted)
- 색상
- Light orange to Yellow to Green
- BRN
- 508454 · 508454
- InChI
- InChI=1S/C9H7NS/c1-2-6-10-8(4-1)9-5-3-7-11-9/h1-7H
- InChIKey
- QLPKTAFPRRIFQX-UHFFFAOYSA-N
- SMILES
- C1(C2SC=CC=2)=NC=CC=C1
- LogP
- 2.702 · 2.702 (est)
화학적 성질
Light brown powder or crystal
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, 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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Regulatory Information2-(2-Thienyl)pyridine: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (97.9%)
규제 정보
Regulatory Information2-(2-Thienyl)pyridine: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
안전 데이터
- HS 번호
- 29349990
- risk_code
- 36/37/38
- safety_code
- 26-36
- 위험 등급
- IRRITANT
화학 및 산업
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상류 원료
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