4-フルオロ-3-メトキシベンゼンスルホニルクロリド

4-Fluoro-3-methoxybenzenesulfonyl chloride

HCID 2783408

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 887266-97-9
標準SMILES: COc1cc(S(=O)(=O)Cl)ccc1F
InChIKey: AJHUCNUEJYHKMR-UHFFFAOYSA-N
分子式: C7H6ClFO3S
平均分子量: 224.64 g/mol
単同位体質量: 223.9710211

名称と識別子

優先名称: 4-Fluoro-3-methoxybenzenesulfonyl chloride
IUPAC: 4-fluoro-3-methoxybenzenesulfonyl chloride
現地名: 4-フルオロ-3-メトキシベンゼンスルホニルクロリド
英語名: 4-Fluoro-3-methoxybenzenesulphonyl chlorid
分子式: C7H6ClFO3S
分子量: 224.64

名称と別名

887266-97-94-fluoro-3-methoxybenzenesulfonyl chloride4-fluoro-3-methoxybenzene-1-sulfonyl chlorideDTXSID10382642RefChem:523216DTXCID40333667861-670-54-fluoro-3-methoxybenzenesulphonyl chlorideMFCD073687084-fluoro-3-methoxy-benzenesulfonyl Chloride4-FLUORO-3-METHOXYBENZENESULPHONYL CHLORIDSCHEMBL1816396

名称をさらに表示

4-フルオロ-3-メトキシベンゼンスルホニルクロリド5-(Chlorosulphonyl)-2-fluoroanisole4-Fluoro-3-methoxybenzenesulphonylchloride95%Benzenesulfonyl chloride, 4-fluoro-3-methoxy-4-FLUORO-3-METHOXYBENZENESULFONYL CHLORIDE(WXFC0870)

SCHEMBL29651875AJHUCNUEJYHKMR-UHFFFAOYSA-NMKB26697GS3090SBB096722AKOS006220685chloro(4-fluoro-3-methoxyphenyl)sulfonePS-10876

データベース識別子

CAS: 887266-97-9
PubChem CID: 2783408
DTXSID: DTXSID10382642
EC Number: 861-670-5

物性

構造計算による物性

XLogP: 2
極性表面積: 51.8 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 2
重原子数: 13
形式電荷: 0
複雑度: 261

物理化学的性質

融点: 46 · 46-48°
外見: solid
色: Pale yellow

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 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.