사이클로설파무론
Cyclosulfamuron
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기본 정보
- CAS
136849-15-5- 표준 SMILES
COc1cc(OC)nc(NC(=O)NS(=O)(=O)Nc2ccccc2C(=O)C2CC2)n1- InChIKey
OFSLKOLYLQSJPB-UHFFFAOYSA-N- 분자식
- C17H19N5O6S
- 평균 분자량
- 421.4 g/mol
- 단동위원소 질량
- 421.10560452
이름 및 식별자
- 우선 이름
- Cyclosulfamuron
- IUPAC
- 1-[[2-(cyclopropanecarbonyl)phenyl]sulfamoyl]-3-(4,6-dimethoxypyrimidin-2-yl)urea
- 현지명
- 사이클로설파무론
- 영어명
- Cyclosulfamuron
- 분자식
- C17H19N5O6S
- 분자량
- 421.43
이름 및 동의어
Cyclosulfamuron136849-15-5Cyclosulfamuron [ISO]UNII-ES7P65KBV3ES7P65KBV31-(2-(cyclopropylcarbonyl)anilinosulfonyl)-3-(4,6-dimethoxypyrimidin-2-yl)ureaDTXSID0057966n-[[[2-(cyclopropylcarbonyl)phenyl]amino]sulfonyl]-n'-(4,6-dimethoxy-2-pyrimidinyl)urea1-{[2-(Cyclopropylcarbonyl)anilino]sulfonyl}-3-(4,6-dimethoxypyrimidin-2-yl)ureaN-(((2-(CYCLOPROPYLCARBONYL)PHENYL)AMINO)SULFONYL)-N'-(4,6-DIMETHOXY-2-PYRIMIDINYL)UREA1-((2-(Cyclopropylcarbonyl)anilino)sulfonyl)-3-(4,6-dimethoxypyrimidin-2-yl)urea1-[2-(cyclopropylcarbonyl)anilinosulfonyl]-3-(4,6-dimethoxypyrimidin-2-yl)urea
이름 더 보기
사이클로설파무론사이클로설파뮤론InvestSAVIOURJIN-QUIAC 322140CyclosulfamuroCAS:136849-15-5Jin-Qiu HerbicideCYCLOSULFAMURON STANDARDcyclosulfamuron (pa iso, ansi)
RefChem:129992DTXCID8031734928-893-0OFSLKOLYLQSJPB-UHFFFAOYSA-NSultan1-[[2-(cyclopropanecarbonyl)phenyl]sulfamoyl]-3-(4,6-dimethoxypyrimidin-2-yl)ureaUrea, N-[[[2-(cyclopropylcarbonyl)phenyl]amino]sulfonyl]-N'-(4,6-dimethoxy-2-pyrimidinyl)-SCHEMBL53468
데이터베이스 식별자
- CAS
136849-15-5- PubChem CID
- 6451137
- DTXSID
DTXSID0057966- ChEBI
CHEBI:81747- UNII
- ES7P65KBV3
- EC Number
- 603-980-3、928-893-0
- Nikkaji
- J653.645J
물성
구조 계산 물성보충 중
- XLogP
- 2.2
- 극성 표면적
- 157 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 683
물리화학적 성질
- 녹는점
- 162 ℃ · 162.0℃
- 밀도
- 1.532 · 1.532±0.06 g/cm3(Predicted)
- 저장 조건
- 0 · 0-6°C
- 용해도
- Solubility in organic solvents (g/l at 20 °C) Acetone 21.0 Ethyl acetate 5.0 Dichloromethane 50.0 n‐Hexane <0.001 Methanol 1.5 Toluene 1
- 산도 계수 (pKa)
- Dissociation constant (pKa at 20 °C) 5.04
- 수용성
- 물에 대한 용해도(25°C에서 g/l): 0.001(pH 5) 0.003(pH 6) 0.006(pH 7) 0.032(pH 8).
- BRN
- 9011949 · 9011949
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H319 (76%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (24%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 50 reports by companies from 3 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 Categories
Eye Irrit. 2 (76%)；Aquatic Acute 1 (100%)；Aquatic Chronic 1 (24%)
Hazardous to the aquatic environment (Acute) - Category 1；Hazardous to the aquatic environment (Long-term) - Category 1
안전 데이터
- wgk
- 3
- ridadr
- UN 3077 9 / PGIII
- risk_code
- 50/53
- hazard_code
- N
- safety_code
- 60-61
- 기존화학 물질
- 98-3-1115
화학 및 산업
응용 분야
용도Cyclosulfamuron can be used in analytical study of importance of optimizing chromatographic conditions and mass spectrometric parameters for supercritical fluid chromatography/mass spectrometry.
관련 반응
2건
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