CAS 3634-89-7 1-(4-Methylbenzenesulfonyl)aziridine (HCID 561274)

基本情報

CAS: 3634-89-7
標準SMILES: Cc1ccc(S(=O)(=O)N2CC2)cc1
InChIKey: VBNWSEVVMYMVLC-UHFFFAOYSA-N
分子式: C9H11NO2S
平均分子量: 197.26 g/mol
単同位体質量: 197.05104977

名称と識別子

優先名称: 1-(4-Methylbenzenesulfonyl)aziridine
IUPAC: 1-(4-methylphenyl)sulfonylaziridine
現地名: N-トシルアジリジン
英語名: 1-(P-TOSYL)AZIRIDINE
分子式: C9H11NO2S
分子量: 197.25

名称と別名

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

名称をさらに表示

N-トシルアジリジンN-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

データベース識別子

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

物性

構造計算による物性

XLogP: 1.2
極性表面積: 45.5 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 13
形式電荷: 0
複雑度: 268

物理化学的性質

融点: 52 · 52-56 °C
沸点: 322.3 · 322.3±35.0 °C(Predicted)
比重(密度): 1.334 · 1.334±0.06 g/cm3(Predicted)
貯蔵温度: -20 °C · -20°C
酸解離定数(Pka): -6.46 · -6.46±0.20(Predicted)
外見: 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

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (97.6%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.6%)

安全データ

wgk: 3
hs_code: 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
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

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

サプライヤー59 社

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]

化合物ノート

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