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기본 정보
- CAS
1049726-96-6- 표준 SMILES
COc1ccc(S(=O)(=O)[O-])c(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1.O.[Na+]- InChIKey
MAPQBSXKBDVINV-UHFFFAOYSA-M- 분자식
- C26H36NaO6PS
- 평균 분자량
- 530.6 g/mol
- 단동위원소 질량
- 530.18679132
이름 및 식별자
- 우선 이름
- Sodium 2'-(dicyclohexylphosphanyl)-2,6-dimethoxy(1,1'-biphenyl)-3-sulfonate--water (1/1/1)
- IUPAC
- sodium;3-(2-dicyclohexylphosphanylphenyl)-2,4-dimethoxybenzenesulfonate;hydrate
- 현지명
- 2'-DICYCLOHEXYLPHOSPHINO-2,6-DIMETHOXY-3-SULFONATO-1,1'-비페닐수화물나트륨염
- 영어명
- 2'-Dicyclohexylphosphino-2,6-dimethoxy-3-sulfonato-1,1'-biphenyl hydrate sodium salt
- 분자식
- C26H36NaO6PS
- 분자량
- 530.59
이름 및 동의어
1049726-96-6DTXSID40635658Sodium 2'-(dicyclohexylphosphanyl)-2,6-dimethoxy(1,1'-biphenyl)-3-sulfonate--water (1/1/1)Sodium 2'-(dicyclohexylphosphanyl)-2,6-dimethoxy[1,1'-biphenyl]-3-sulfonate--water (1/1/1)RefChem:1098636DTXCID90586409Sodium 2'-(dicyclohexylphosphino)-2,6-dimethoxy-[1,1'-biphenyl]-3-sulfonate hydrateSSPhosSodium 2'-dicyclohexylphosphino-2,6-dimethoxy-1,1'-biphenyl-3-sulfonate hydrateC26H36NaO6PSMFCD077819942'-DICYCLOHEXYLPHOSPHINO-2,6-DIMETHOXY-3-SULFONATO-1,1'-BIPHENYL HYDRATE SODIUM SALT
이름 더 보기
2'-DICYCLOHEXYLPHOSPHINO-2,6-DIMETHOXY-3-SULFONATO-1,1'-비페닐수화물나트륨염-3-suLSodium 2'-dicycLSPhos (water soluble)Sodium 2μ-dicyclohexylphosphino-2,6-dimethoxy-1,1μ-biphenyl-3-sulfonate hydrate2'-(Dicyclohexylphosphino)-2,6-dimethoxy-[1,1'-biphenyl]-3-sulfonic acid sodium salt hydrate2'-(Dicyclohexylphosphino)-2,6-dimethoxy-[1,1'-biphenyl]-3-sulfonic acid sodium salt hydrate (1:1:1)
물성
구조 계산 물성보충 중
- 극성 표면적
- 85 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 686
물리화학적 성질
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- 물리적 상태
- 고체
- 색상
- 연노랑
- InChIKey
- MAPQBSXKBDVINV-UHFFFAOYSA-M
- SMILES
- O.[Na+].COc1ccc(c(OC)c1-c2ccccc2P(C3CCCCC3)C4CCCCC4)S([O-])(=O)=O
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 (100%): 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 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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
안전 데이터
- wgk
- 3
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36/37
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도Sodium 2’-Dicyclohexylphosphino-2,6-dimethoxy-1,1’-biphenyl-3-sulfonate hydrate is a useful building block, used in the patented preparation of phenanthrene lactam derivatives for their anticancer activity.
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