2-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetonitrile

HCID 3842922
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基本情報

CAS
138500-86-4
標準SMILES
CC1(C)OB(c2ccc(CC#N)cc2)OC1(C)C
InChIKey
URWMFRYGXSHPRV-UHFFFAOYSA-N
分子式
C14H18BNO2
平均分子量
243.11 g/mol
単同位体質量
243.14305922

名称と識別子

優先名称
2-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetonitrile
IUPAC
2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetonitrile
英語名
4-(Cyanomethyl)benzeneboronic acid pinacol ester
分子式
C14H18BNO2
分子量
243.11

名称と別名

2-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetonitrile2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetonitrileRefChem:456329677-797-2138500-86-44-(Cyanomethyl)benzeneboronic acid pinacol ester2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetonitrile4-(CYANOMETHYL)PHENYLBORONIC ACID PINACOL ESTERMFCD02179459BENZENEACETONITRILE, 4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-4-Cyanomethylphenylboronic acid, pinacol ester(4-(CYANOMETHYL)PHENYL)BORONIC ACID PINACOL ESTER
名称をさらに表示
4-(Cyanomethyl)phenylboronic acid p4-(Cyanomethyl)phenlyboronic acid pinacol ester(4-CYANOMETHYLPHENYL)BORONIC ACID, PINACOL ESTER4-(CyanoMethyl)phenylboronic acid pinacole ester4-(Cyanomethyl)phenylboronic acid pinacol cyclic ester4-(Cyanomethyl)benzeneboronic acid pinacol cyclic ester4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolyl)benzyl cyanide2-[(4-Cyanomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetonitrile(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetonitrileURWMFRYGXSHPRV-UHFFFAOYSA-NSCHEMBL1163929DTXSID20397186AKOS015913843PB10214AS-39948

データベース識別子

CAS
138500-86-4
PubChem CID
3842922
DTXSID
DTXSID20397186
EC Number
677-797-2
Nikkaji
J1.255.217C

物性

構造計算による物性

極性表面積
42.3 Ų
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
18

物理化学的性質

融点
68 · 68-72°C
沸点
369.3 · 369.3±25.0 °C(Predicted)
比重(密度)
1.05 · 1.05±0.1 g/cm3(Predicted)
貯蔵温度
Inert atmosphere,Room Temperature
外見
solid
InChI
1S/C14H18BNO2/c1-13(2)14(3,4)18-15(17-13)12-7-5-11(6-8-12)9-10-16/h5-8H,9H2,1-4H3

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (87.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 8 reports by companies from 5 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 (87.5%)

安全データ

wgk
WGK 3
ridadr
3439
hs_code
2931900090
risk_code
20/21/22-36/37/38
safety_code
26-36/37/39
hazard_class
6.1

化学と産業

応用分野

使用4-Cyanomethylphenylboronic acid, pinacol ester

上流・下流製品情報

サプライヤー92 社

上海康恩博医药科技有限公司17510465506 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
上海莉凯化工技术有限公司16628776521 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

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