1-(ブロモメチル)-2-クロロ-4-(メチルスルホニル)ベンゼン

1-(Bromomethyl)-2-chloro-4-(methylsulfonyl)benzene

HCID 2761083

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 180200-86-6
標準SMILES: CS(=O)(=O)c1ccc(CBr)c(Cl)c1
InChIKey: FQVJALWTFNYNBL-UHFFFAOYSA-N
分子式: C8H8BrClO2S
平均分子量: 283.57 g/mol
単同位体質量: 281.91169

名称と識別子

優先名称: 1-(Bromomethyl)-2-chloro-4-(methylsulfonyl)benzene
IUPAC: 1-(bromomethyl)-2-chloro-4-methylsulfonylbenzene
現地名: 1-(ブロモメチル)-2-クロロ-4-(メチルスルホニル)ベンゼン
英語名: 4-CHLORO-N-CYCLOPROPYL-N-PIPERIDIN-4-YLBENZENESULFONAMIDE
分子式: C8H8BrClO2S
分子量: 283.57

名称と別名

180200-86-61-(Bromomethyl)-2-chloro-4-(methylsulfonyl)benzeneDTXSID90375532RefChem:226186DTXCID50326560674-403-0MFCD040379591-(bromomethyl)-2-chloro-4-methylsulfonylbenzene2-chloro-4-(methylsulphonyl)benzyl bromideBenzene, 1-(bromomethyl)-2-chloro-4-(methylsulfonyl)-1-(bromomethyl)-2-chloro-4-methanesulfonylbenzeneBenzene,1-(bromomethyl)-2-chloro-4-(methylsulfonyl)-

名称をさらに表示

1-(ブロモメチル)-2-クロロ-4-(メチルスルホニル)ベンゼン2-Chloro-4-(methylsulphonyl)benzyl bromide 95+%1-Bromomethyl-2-chloro-4-methanesulfonyl-benzene1-(Bromomethyl)-2-chloro-4-(methylsulphonyl)benzene, 4-(Bromomethyl)-3-chlorophenyl methyl sulphone

SCHEMBL399056FQVJALWTFNYNBL-UHFFFAOYSA-NSBB070939AKOS015836014PS-99362-chloro-4-methylsulfonylbenzyl bromide2-Chloro-4-(methylsulfonyl)benzyl bromideDB-024651

データベース識別子

CAS: 180200-86-6
PubChem CID: 2761083
DTXSID: DTXSID90375532
EC Number: 674-403-0

物性

構造計算による物性

XLogP: 2.3
極性表面積: 42.5 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 13
形式電荷: 0
複雑度: 260

物理化学的性質

融点: 103 · 103-105
沸点: 408.8 · 408.8±45.0 °C(Predicted)
比重(密度): 1.642 · 1.642±0.06 g/cm3(Predicted)
外見: solid
色: Uniform white

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；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, 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 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.