N,N-bis(2-(p-toluenesulfonyloxy)ethyl)-p-toluenesulfonamide

HCID 267409CAS 16695-22-0

기본 정보

표준 SMILES: Cc1ccc(S(=O)(=O)OCCN(CCOS(=O)(=O)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIKey: VJDZYMIEDBLSDT-UHFFFAOYSA-N
분자식: C25H29NO8S3
평균 분자량: 567.7 g/mol
단동위원소 질량: 567.1055304

이름 및 식별자

우선 이름: N,N-bis(2-(p-toluenesulfonyloxy)ethyl)-p-toluenesulfonamide
IUPAC: 2-[(4-methylphenyl)sulfonyl-[2-(4-methylphenyl)sulfonyloxyethyl]amino]ethyl 4-methylbenzenesulfonate
영어명: N,N-BIS[2-(P-TOLYLSULFONYLOXY)ETHYL]-P-TOLUENESULFONAMIDE
분자식: C25H29NO8S3
분자량: 567.69

이름 및 동의어

N,N-Bis[2-(p-tolylsulfonyloxy)ethyl]-p-toluenesulfonamideEC 412-920-3NSC 106624N,N-bis(2-(p-toluenesulfonyloxy)ethyl)-p-toluenesulfonamideN,N-Bis(2-(p-tolylsulfonyloxy)ethyl)-p-toluenesulfonamideRefChem:822125412-920-3627-486-216695-22-0(Tosylazanediyl)bis(ethane-2,1-diyl) bis(4-methylbenzenesulfonate)MFCD00026000N,N-Bis[2-(tosyloxy)ethyl]-p-toluenesulfonamide

이름 더 보기

(Tosylazanediyl)Gadobutrol Impurity 43Gadobutrol Impurity 34Gadobutrol Impurity 116N,O,Oμ-Tritosyldiethanolaminebis(4-methylbenzenesulfonate)N,N-bis[2-(tosyloxy)ethyl]toluene-4-sulfonamideN,N-bis(2-tosyloxy)ethyl)toluene-4-*sulfonamideN,N-BIS(2-(TOSYLOXY)ETHYL)-P-TOLUENE- SULFONAMIDEN,N-bis(2-(P-tolylsulfonyloxy)ethyl)-P-toluenesul

N-tosyl-bis(2-tosyloxyethyl)amineN,O,O?-Tritosyldiethanolamine2-[(4-methylphenyl)sulfonyl-[2-(4-methylphenyl)sulfonyloxyethyl]amino]ethyl 4-methylbenzenesulfonateNSC-1066244-methyl-N,N-bis[2-[[(4-methylphenyl)sulfonyl]oxy]ethyl]benzenesulfonamideGadobutrol Impurity 9N,N-Bis[2-(p-tolylsulfonyloxy)ethyl]-p-toluenesulfonamide, 97%2-(N-{2-[(4-methylbenzenesulfonyl)oxy]ethyl}-4-methylbenzenesulfonamido)ethyl 4-methylbenzene-1-sulfonate

데이터베이스 식별자

CAS: 16695-22-0
PubChem CID: 267409
DTXSID: DTXSID20295976
UNII: 75DU3QT8T6
EC Number: 412-920-3、627-486-2
Nikkaji: J986.050I

물성

구조 계산 물성

XLogP: 4.1
극성 표면적: 149 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 9
회전 가능 결합 수: 12
무거운 원자 수: 37
형식 전하: 0
복잡도: 945

물리화학적 성질

녹는점: 92 · 92-98 °C(lit.)
끓는 점: 732.4 · 732.4±70.0 °C(Predicted)
밀도: 1.345 · 1.345±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): -9.29 · -9.29±0.70(Predicted)
색상: 흰색에서 거의 흰색
BRN: 2406580 · 2406580
InChI: 1S/C25H29NO8S3/c1-20-4-10-23(11-5-20)35(27,28)26(16-18-33-36(29,30)24-12-6-21(2)7-13-24)17-19-34-37(31,32)25-14-8-22(3)9-15-25/h4-15H,16-19H2,1-3H3
InChIKey: VJDZYMIEDBLSDT-UHFFFAOYSA-N
SMILES: Cc1ccc(cc1)S(=O)(=O)OCCN(CCOS(=O)(=O)c2ccc(C)cc2)S(=O)(=O)c3ccc(C)cc3

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H317: May cause an allergic skin reaction [Warning Sensitization, Skin]；H413: May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Warning

유해성 정보

Regulatory InformationStatus: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/3026

Hazard Classes and Categories · 4건

Skin Sens. 1 (100%)；Aquatic Chronic 4 (100%)

Skin sensitisation - category 1；Hazardous to the aquatic environment (chronic) - category 4

Skin Sens. 1；Aquatic Chronic 4

규제 정보

Regulatory InformationStatus: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/3026

안전 데이터

wgk: 1
HS 번호: 2935.90.9500
risk_code: 43-53
hazard_code: Xi
safety_code: 24-37-61
Hazard Classifications: Aquatic Chronic 4Skin Sens. 1
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도N,N-BIS[2-(P-TOLYLSULFONYLOXY)ETHYL]-P-TOLUENESULFONAMIDE used to prepare selectively protected aza-macrocycles,1 carbon-bridged metallacarboranes,2 and tetrakis(phosphonomethyl)-substituted cyclododecanes.3

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

济南百隆化学有限公司[email protected] · [email protected]

怀化元研达生物技术有限责任公司18711085600 · [email protected]

Sichuan Biosynce Pharmatech Co., Ltd.[email protected]

연결된 노트

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