CAS 22328-43-4 2,5-Dimethylbenzoyl chloride (HCID 12351885)

基本情報

CAS: 22328-43-4
標準SMILES: Cc1ccc(C)c(C(=O)Cl)c1
InChIKey: MGBRPGMQNVRQCG-UHFFFAOYSA-N
分子式: C9H9ClO
平均分子量: 168.62 g/mol
単同位体質量: 168.0341926

名称と識別子

優先名称: 2,5-Dimethylbenzoyl chloride
IUPAC: 2,5-dimethylbenzoyl chloride
現地名: 2,5-ジメチルベンゾイルクロリド
英語名: Benzoyl chloride, 2,5-dimethyl- (6CI,7CI,8CI,9CI)
分子式: C9H9ClO
分子量: 168.62

名称と別名

2,5-Dimethylbenzoyl chloride22328-43-4DTXSID50493387RefChem:247612DTXCID50444197824-139-92,5-dimethylbenzoylchlorideMFCD00045218Benzoyl chloride, 2,5-dimethyl- (6CI,7CI,8CI,9CI)SCHEMBL1311663MGBRPGMQNVRQCG-UHFFFAOYSA-NALBB-034794

名称をさらに表示

2,5-ジメチルベンゾイルクロリドBENZOYL CHLORIDE,2,5-DIMETHYL-

XAA32843AKOS007930321FS-50222,5-dimethyl-1-benzenecarbonyl chlorideDB-355300EN300-78737F81616F062603

データベース識別子

CAS: 22328-43-4
PubChem CID: 12351885
DTXSID: DTXSID50493387
EC Number: 824-139-9

物性

構造計算による物性

XLogP: 3.2
極性表面積: 17.1 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 1
重原子数: 11
形式電荷: 0
複雑度: 156

物理化学的性質

沸点: 239.3 · 239.3±9.0 °C(Predicted)
比重(密度): 1.136 · 1.136±0.06 g/cm3(Predicted)

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 (50%): 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.