2,2,2-トリクロロアセトイミド酸O-アリル 塩化物

Allyl 2,2,2-Trichloroacetimidate

HCID 316905

基本情報

CAS
51479-73-3
標準SMILES
C=CCOC(=N)C(Cl)(Cl)Cl
InChIKey
UJYZRNWTLPBNOR-UHFFFAOYSA-N
分子式
C5H6Cl3NO
平均分子量
202.46 g/mol
単同位体質量
200.95149685

名称と識別子

優先名称
Allyl 2,2,2-Trichloroacetimidate
IUPAC
prop-2-enyl 2,2,2-trichloroethanimidate
現地名
2,2,2-トリクロロアセトイミド酸O-アリル 塩化物
英語名
O-Allyl-2,2,2-trichloroacetimidate
分子式
C5H6Cl3NO
分子量
202.47

名称と別名

Allyl 2,2,2-TrichloroacetimidateDTXSID30311818RefChem:554781DTXCID80262942626-479-151479-73-3O-ALLYL-2,2,2-TRICHLOROACETIMIDATEprop-2-enyl 2,2,2-trichloroethanimidateMFCD00190710allyl trichloroacetimidate2,2,2-Trichloroacetimidic acid allyl esterC5H6Cl3NO
名称をさらに表示
2,2,2-トリクロロアセトイミド酸O-アリル 塩化物アリル2,2,2-トリクロロアセトイミダート2,2,2-トリクロロアセチミド酸アリルエステル2,2,2-トリクロロアセトイミド酸アリル2,2,2-トリクロロアセトイミド酸O-アリルトリクロロアセトイミド酸アリルプロパ-2-エン-1-イル 2,2,2-トリクロロエタンイミダート2,2,2-trichloroacetamide allyl esterAllyl 2,2,2-Trichloroacetimidate >O-Allyl 2,2,2-trichloroacetimidate 96%2,2,2-trichloroacetamidenepropyl ester2,2,2-TRICHLORACETIMIDIC ACID ALLYLESTER
PROP-2-EN-1-YL 2,2,2-TRICHLOROETHANIMIDATEO-Allyl 2,2,2-trichloroacetimidateNSC245512allyltrichloroacetimidateAllyl 222-trichloroacetimidateSCHEMBL1288241Allyl2,2,2-TrichloroacetimidateUJYZRNWTLPBNOR-UHFFFAOYSA-N

データベース識別子

CAS
51479-73-3
PubChem CID
316905
DTXSID
DTXSID30311818
EC Number
626-479-1
Nikkaji
J715.007E

物性

構造計算による物性

XLogP
2.7
極性表面積
33.1 Ų
水素結合供与体数
1
水素結合受容体数
2
回転可能結合数
3
重原子数
10

物理化学的性質

沸点
54 · 54-70 °C/7.5-11.25 mmHg
比重(密度)
1.333 g/mL · 1.333 g/mL at 25 °C
屈折率
20 · n20/D 1.489
闪点
74 °C · 74 °C
貯蔵温度
2 · 2-8°C
溶解性
sol hexane, ether, dichloromethane.

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (97.5%)

安全データ

wgk
3
hs_code
29252900
risk_code
22-37/38-41
消防法
危-4-3-III
hazard_code
Xn
safety_code
26-39

化学と産業

応用分野

使用Reagent used for the protection of an alcohol as its allyl ether in the presence of base sensitive functionality.

調製方法 · 1 件

製造方法Sodium Hydride (0.5 g, 21 mmol) is slurried in anhydrous ether (20 mL) under a nitrogen blanket. Allyl alcohol (210 mmol) is introduced in ether (30 mL) dropwise with stirring to the slurry. After 20 min, the homogeneous solution is cooled to 0 °C and Trichloroacetonitrile (20 mL, 200 mmol) is added over 15 min. The mixture is allowed to warm to 20 °C over 60 min and then concentrated to a syrup. Pentane (20 mL) containing methanol (0.8 mL, 21 mmol) is added followed by vigorous shaking, filtration, and concentration of the filtrate and pentane washings (2 × 20 mL). The product imidate is obtained as a clear liquid (90-97%). No further purification is required. Alternatively, the imidate can be prepared by using sodium methoxide as a catalyst instead of sodium hydride. Other procedures for the preparation of allyl trichloroacetimidate have been reported.

サプライヤー70 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
河南萨克斯生物科技有限公司13803717460 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海衡新化工科技有限公司13917104483; 13917104483 · [email protected]

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