기본 정보
- 표준 SMILES
Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1- InChIKey
GKTKCGAOXFHFTD-UHFFFAOYSA-N- 분자식
- C9H7N3O4S2
- 평균 분자량
- 285.3 g/mol
- 단동위원소 질량
- 284.98779806
이름 및 식별자
- 우선 이름
- p-Nitrophenyl-2-aminothiazol-5-ylsulphone
- IUPAC
- 5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-amine
- 영어명
- 2-AMINO-5-(4-NITROPHENYLSULFONYL)THIAZOLE
- 분자식
- C9H7N3O4S2
- 분자량
- 285.3
이름 및 동의어
p-Nitrophenyl-2-aminothiazol-5-ylsulphoneRefChem:858154254-515-239565-05-42-Amino-5-(4-nitrophenylsulfonyl)thiazole5-[(4-nitrophenyl)sulfonyl]-1,3-thiazol-2-amine5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-amine2-Amino-5-(p-nitrophenylsulfonyl)thiazole2-Amino-5-(p-nitrobenzenesulfonyl)thiazoleC9H7N3O4S22-Thiazolamine, 5-[(4-nitrophenyl)sulfonyl]-5-(4-nitrobenzenesulfonyl)-1,3-thiazol-2-amine
이름 더 보기
AKOS BBS-00007959p-Nitrophenyl-2-aTIMTEC-BB SBB003002LABOTEST-BB LTBB0007485-(p-Nitrophenylsulfonyl)-2-thiazolamine5-(4-nitrophenyl)sulfonylthiazol-2-amine5-((4-nitrophenyl)sulfonyl)-2-thiazolamin
THIAZOLE, 2-AMINO-5-(p-NITROPHENYLSULFONYL)-2-Amino-5-(4-Nitrophenylsulfonyl)-ThiazoleMFCD00005327Thiazole, 2-amino-5-((p-nitrophenyl)sulfonyl)-MLS0026940115-((4-Nitrophenyl)sulfonyl)thiazol-2-amine2-Thiazolamine, 5-((4-nitrophenyl)sulfonyl)-WLN: T5N CSJ BZ DSWR DNW
데이터베이스 식별자
- CAS
39565-05-4- PubChem CID
- 1535
- DTXSID
DTXSID80192679- ChEMBL
CHEMBL347345- UNII
- PRE5B7RF4R
- EC Number
- 254-515-2
- Nikkaji
- J24.650F
물성
구조 계산 물성
- XLogP
- 1.6
- 극성 표면적
- 155 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 409
물리화학적 성질
- 녹는점
- 222 °C · 222 °C
- 끓는 점
- 572.7 · 572.7±30.0 °C(Predicted)
- 밀도
- 1.6338 · 1.6338 (rough estimate)
- 굴절률
- 1.632 · 1.6320 (estimate)
- 산도 계수 (pKa)
- 1.04 · 1.04±0.10(Predicted)
화학적 성질
yellow powder
안전 및 규제
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 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
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Eye Irrit. 2A (100%)
안전 데이터
- rtecs
- XJ2870000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37/39
화학 및 산업
공급사3 곳
常州合晶化工有限公司85528066 13775048983 · [email protected]
重庆卡兰医药有限公司[email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
관련 반응
5건
연결된 노트
불러오는 중…