4-(Dipropylsulfamoyl)benzoyl chloride

HCID 2735528

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基本情報

CAS: 29171-72-0
標準SMILES: CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Cl)cc1
InChIKey: LCQXGFTXKWEWQC-UHFFFAOYSA-N
分子式: C13H18ClNO3S
平均分子量: 303.81 g/mol
単同位体質量: 303.0695923

名称と識別子

優先名称: 4-(Dipropylsulfamoyl)benzoyl chloride
IUPAC: 4-(dipropylsulfamoyl)benzoyl chloride
英語名: 4-[(Dipropylamino)sulfonyl]benzene-1-carbonyl chloride
分子式: C13H18ClNO3S
分子量: 303.8

名称と別名

29171-72-04-(dipropylsulfamoyl)benzoyl ChlorideDTXSID80370773RefChem:288968DTXCID403218074-(N,N-Dipropylsulfamoyl)benzoyl chlorideBenzoyl chloride, 4-[(dipropylamino)sulfonyl]-4-[(Dipropylamino)Sulfonyl]Benzene-1-Carbonyl ChlorideMFCD00121817SCHEMBL10223344-(dipropylsulfamoyl)-benzoyl chloride4--(dipropylsulfamoyl)benzoyl chloride

名称をさらに表示

4-(dipropylsulfamoyl)benzoylchlorideN,N-Dipropyl-4-sulfamidobenzoyl chlorideN,N-DIPROPYL-4-SULPHAMIDOBENZOYL CHLORIDE4-(DIPROPYLAMINOSULFONYL)BENZOYL CHLORIDE4-(DI-N-PROPYLAMINOSULFONYL)BENZOYL CHLORIDE4-(Di-n-propylsulfaMoyl)benzoyl chloride, 96%4-[(Dipropylamino)sulfonyl]benzene-1-carbonyl chloride, Tech.

4-(Di-n-propylsulfamoyl)benzoyl chloride4-(N,N-Dipropylsulfamoyl)benzoylchloride4-(di-n-propylsulfamoyl) benzoyl chloride

データベース識別子

CAS: 29171-72-0
PubChem CID: 2735528
DTXSID: DTXSID80370773
EC Number: 679-401-3

物性

構造計算による物性

XLogP: 4.2
極性表面積: 62.8 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: 7
重原子数: 19
形式電荷: 0
複雑度: 377

物理化学的性質

融点: 62 · 62-63
沸点: 411.3 · 411.3±47.0 °C(Predicted)
比重(密度): 1.227 · 1.227±0.06 g/cm3(Predicted)
酸解離定数(Pka): -5.62 · -5.62±0.70(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory.；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.