Sodium 4-bromobenzene-1-sulfinate

HCID 23670685

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部分構造検索類似構造を探す

基本情報

CAS: 34176-08-4
標準SMILES: O=S([O-])c1ccc(Br)cc1.[Na+]
InChIKey: FJSOUHVHPWODGS-UHFFFAOYSA-M
分子式: C6H4BrNaO2S
平均分子量: 243.06 g/mol
単同位体質量: 241.90131

名称と識別子

優先名称: Sodium 4-bromobenzene-1-sulfinate
IUPAC: sodium 4-bromobenzenesulfinate
英語名: Sodium 4-bromobenzenesulfinate
分子式: C6H4BrNaO2S
分子量: 243.05353

名称と別名

Sodium 4-bromobenzene-1-sulfinate34176-08-4RefChem:887084882-251-3Sodium 4-bromobenzenesulfinateMFCD09065037sodium;4-bromobenzenesulfinateSodium 4-Bromobenzenesulfinate hydrate4-bromobenzenesulfinateSodium4-bromobenzenesulfinatesodium 4-bromophenylsulfinateSCHEMBL3015881

名称をさらに表示

Sodium p-bromobenzenesulfinate4-Bromobenzene-1-sulfinic acid sodium salt

SKL658Sodium (4-Bromophenyl)sulfinatesodium;4-bromanylbenzenesulfinateFJSOUHVHPWODGS-UHFFFAOYSA-M34176-08-4(anhy)JBA17608SBB0996714-bromophenylsulfinic acid sodium salt

データベース識別子

CAS: 34176-08-4
PubChem CID: 23670685
EC Number: 882-251-3
Nikkaji: J3.220.674C

物性

構造計算による物性

極性表面積: 59.3 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: 1
重原子数: 11
形式電荷: 0
複雑度: 137

物理化学的性質

貯蔵温度: 2 · 2-8°C, sealed storage, away from moisture

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): 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 (100%): 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 2 reports by companies from 1 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 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

安全データ

危険有害性情報: コード危険有害性情報危険有害性クラス区分注意喚起語シンボル P コード H302

化学と産業

応用分野

使用Sodium 4-Bromobenzene-1-sulfinate is used in preparation of beta-ketosulfone derivatives via radical addition/oxidation reaction of aryl olefins with sodium sulfinates.