5-ブロモ-2-クロロベンゾイルクロリド

5-Bromo-2-chlorobenzoyl chloride

HCID 2756871

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 21900-52-7
標準SMILES: O=C(Cl)c1cc(Br)ccc1Cl
InChIKey: TZIQQJRRMJWMDI-UHFFFAOYSA-N
分子式: C7H3BrCl2O
平均分子量: 253.9 g/mol
単同位体質量: 251.87443

名称と識別子

優先名称: 5-Bromo-2-chlorobenzoyl chloride
IUPAC: 5-bromo-2-chlorobenzoyl chloride
現地名: 5-ブロモ-2-クロロベンゾイルクロリド
英語名: 5-Bromo-2-chloro-benzoyl chloride
分子式: C7H3BrCl2O
分子量: 253.91

名称と別名

5-bromo-2-chlorobenzoyl chloride21900-52-7Benzoyl chloride, 5-bromo-2-chloro-DTXSID80373603RefChem:102117DTXCID80324635606-860-9TZIQQJRRMJWMDI-UHFFFAOYSA-N5-Bromo-2-chloro-benzoyl chlorideMFCD032089782-chloro-5-bromobenzoic acid chlorideDapagliflozin Impurity N50

名称をさらに表示

5-ブロモ-2-クロロベンゾイルクロリドDapagliflozin Impurity 70Dapagliflozin Impurity 55Dapagliflozin Impurity 70 CRS

SCHEMBL18163SCHEMBL303563855-Bromo-2-chloro-benzoylchloride2-chloro-5-bromo-benzoyl chloride37382CS4RM5-bromo-2-chloro benzoyl chlorideSTR10324AKOS009476110

データベース識別子

CAS: 21900-52-7
PubChem CID: 2756871
DTXSID: DTXSID80373603
UNII: 37382CS4RM
EC Number: 606-860-9
Nikkaji: J2.198.474D

物性

構造計算による物性

XLogP: 3.9
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: 163

物理化学的性質

沸点: 281.4 · 281.4±25.0 °C(Predicted)
比重(密度): 1.763 · 1.763±0.06 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H317 (97.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H334 (97.5%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]；H400 (97.5%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P233, P260, P261, P264, P270, P271, P272, P273, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P333+P317, P342+P316, P362+P364, P363, P391, P403, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 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.