2-Methyl-5-(morpholin-4-ylsulphonyl)benzeneboronic acid

HCID 44119554CAS 871329-74-7

基本情報

標準SMILES: Cc1ccc(S(=O)(=O)N2CCOCC2)cc1B(O)O
InChIKey: IGDNJOSXZREONA-UHFFFAOYSA-N
分子式: C11H16BNO5S
平均分子量: 285.13 g/mol
単同位体質量: 285.08422401

名称と識別子

優先名称: 2-Methyl-5-(morpholin-4-ylsulphonyl)benzeneboronic acid
IUPAC: (2-methyl-5-morpholin-4-ylsulfonylphenyl)boronic acid
英語名: 2-Methyl-5-(N-morpholinylsulfonyl)phenylboronic acid
分子式: C11H16BNO5S
分子量: 285.12

名称と別名

2-Methyl-5-(morpholin-4-ylsulphonyl)benzeneboronic acidRefChem:475676641-336-3871329-74-7(2-Methyl-5-(morpholinosulfonyl)phenyl)boronic acid2-Methyl-5-(N-morpholinylsulfonyl)phenylboronic acidMFCD07363761(2-methyl-5-morpholin-4-ylsulfonylphenyl)boronic acid[2-Methyl-5-(morpholine-4-sulfonyl)phenyl]boronic acid(2-Methyl-5-(morpholinosulfonyl)phenyl)boronicacidSCHEMBL3409012SCHEMBL29955875

名称をさらに表示

4-(3-Borono-4-methylbenzenesulfonyl)morpholine4-(3-Borono-4-methylbenzenesulphonyl)morpholine2-methyl-5-(morpholine-4-sulfonyl)phenylboronic acid2-Methyl-5-(morpholin-4-ylsulfonyl)benzeneboronic acid2-METHYL-5-(N-MORPHOLINYLSULPHONAMIDO)BENZENEBORONIC ACID2-Methyl-5-(morpholin-4-ylsulphonyl)benzeneboronicacid98%2-Methyl-5-(4-Morpholinylsulfonyl)benzeneboronic acid, 98%

DTXSID70657287IGDNJOSXZREONA-UHFFFAOYSA-NAKOS015842379AB30708BS-25856CS-0175775F76259(2-methyl-5-morpholinosulfonyl-phenyl)boronic acid

データベース識別子

CAS: 871329-74-7
PubChem CID: 44119554
DTXSID: DTXSID70657287
EC Number: 641-336-3

物性

構造計算による物性

極性表面積: 95.5 Å²
水素結合供与体数: 2
水素結合受容体数: 6
回転可能結合数: 3
重原子数: 19
形式電荷: 0
複雑度: 390

物理化学的性質

融点: 136 · 136-140
沸点: 522.3 · 522.3±60.0 °C(Predicted)
比重(密度): 1.41 · 1.41±0.1 g/cm3(Predicted)
貯蔵温度: 2 · Sealed in dry,2-8°C
酸解離定数(Pka): 7.67 · 7.67±0.58(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

安全データ

hs_code: 2934999090
hazard_code: Xi
hazard_note: Harmful/Irritant/Keep Cold

化学と産業

サプライヤー15 社

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Aladdin Scientific[email protected]

阿法埃莎（中国）化学有限公司400-6106006 · [email protected]

安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]

武汉凯威斯科技有限公司86-027-67849912 · [email protected]