1-(피토실)아지리딘

1-(4-Methylbenzenesulfonyl)aziridine

HCID 561274

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 3634-89-7
표준 SMILES: Cc1ccc(S(=O)(=O)N2CC2)cc1
InChIKey: VBNWSEVVMYMVLC-UHFFFAOYSA-N
분자식: C9H11NO2S
평균 분자량: 197.26 g/mol
단동위원소 질량: 197.05104977

이름 및 식별자

우선 이름: 1-(4-Methylbenzenesulfonyl)aziridine
IUPAC: 1-(4-methylphenyl)sulfonylaziridine
현지명: 1-(피토실)아지리딘
영어명: 1-(P-TOSYL)AZIRIDINE
분자식: C9H11NO2S
분자량: 197.25

이름 및 동의어

1-(4-methylbenzenesulfonyl)aziridineRefChem:425854627-169-9N-Tosylaziridine1-Tosylaziridine3634-89-71-(P-TOSYL)AZIRIDINEtosylaziridine1-(4-methylphenyl)sulfonylaziridineMFCD001884121-[(4-methylbenzene)sulfonyl]aziridineN-[(4-Methylphenyl)sulfonyl]aziridine

이름 더 보기

1-(피토실)아지리딘N-p-TosylaziridineN-Tosylaziridine 98%1-(p-Tolylsulfonyl)aziridineN-(p-Tolylsulfonyl)aziridineN-(p-Toluenesulfonyl)aziridine1-(p-Toluenesulfonyl)aziridine

SCHEMBL699639AKOS000278720CS-W015672UPCMLD0ENAT5325230:001Aziridine, 1-[(4-methylphenyl)sulfonyl]-n-tosyl aziridineN-Tosylaziridine,N-(p-tosyl)aziridine

데이터베이스 식별자

CAS: 3634-89-7
PubChem CID: 561274
DTXSID: DTXSID50340069
EC Number: 627-169-9
Nikkaji: J652.110J

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 45.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 268

물리화학적 성질

녹는점: 52 · 52-56 °C
끓는 점: 322.3 · 322.3±35.0 °C(Predicted)
밀도: 1.334 · 1.334±0.06 g/cm3(Predicted)
저장 조건: -20 °C · -20°C
산도 계수 (pKa): -6.46 · -6.46±0.20(Predicted)
물리적 상태: crystals
BRN: 154388 · 154388
InChI: InChI=1S/C9H11NO2S/c1-8-2-4-9(5-3-8)13(11,12)10-6-7-10/h2-5H,6-7H2,1H3
InChIKey: VBNWSEVVMYMVLC-UHFFFAOYSA-N
SMILES: N1(S(C2=CC=C(C)C=C2)(=O)=O)CC1

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 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 (97.6%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.6%)

안전 데이터

wgk: 3
HS 번호: 2935909099
risk_code: 22-36/37/38
hazard_code: Xn
safety_code: 26-36/37
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도Reagent for beta-aminoethylation as well as for chemical fixation of carbon dioxide via ring expansion reaction under atmospheric pressure.

공급사59 곳

韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]

宁波振岳医药科技有限公司19817745290 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

武汉布林科技有限公司3456065315 13260619011 · [email protected]

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