181696-35-5

• 常用中文名：4-(5-甲基-3-苯基异恶唑-4-基)苯磺酸
• 常用英文名：Valdecoxib Sulfonic Acid
• CAS号：181696-35-5
• 分子式：C₁₆H₁₃NO₄S
• 分子量：315.344
• 发布时间：2018-03-05 08:00:00
• 更新时间：2026-07-17 19:12:06

名称

• 中文名: 伐地考昔杂质D
• 英文名: Valdecoxib Sulfonic Acid
• 中文别名: 帕瑞考昔钠杂质K; 4-(5-甲基-3-苯基-4-异恶唑基)苯磺酸; 帕瑞昔布磺酸杂质; 帕瑞昔布杂质8; 戊地昔布磺酸; 伐地考昔/伐地昔布杂质33; 帕瑞昔布杂质8(伐地考昔杂质D); 帕瑞昔布标准品003; 4-(5-甲基-3-苯基-异噁唑基)苯磺酸; 代他考昔杂质D; 中间体有关; 伐地昔布磺酸; 伐地昔布杂质D; 戊地昔布杂质D; 戊地昔布磺酸/戊地昔布杂质D; 4-(5-甲基-3-苯基异噁唑-4-基)苯磺酸; 帕瑞昔布杂质A:4-苯环-4-磺酸; 伐地考昔杂质33(帕瑞考昔杂质8); 匹杉琼杂质25; 帕瑞昔布中间体酸; 帕瑞昔布钠杂质07; 帕瑞考昔杂质25
• 英文别名: 4-(5-Methyl-3-phenyl-4-isoxazolyl)benzenesulfonic Acid; Valdecoxib IMpurity-D (Valdecoxib SulfonicAcid); Pecoxib Sodium-6; 4-(5-Methyl-3-phenylisoxazol-4-yl)benzenesulfonic acid; 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonic acid; Valdecoxib Impurity D (Pecoxib Impurity 8); Pecoxib-003; Valdecoxib Impurity 33 (Pecoxib Impurity 8); Pecoxib Sodium Impurity 7; Parecoxib Impurity 25; 4-(5-Methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonic acid; PECOXIB SODIUM F; 4-(5-Methyl-3-phenyl-4-isoxazolyl)benzenesulfonic acid; Pecoxib impurity A: 4-benzene ring-4-sulfonic acid; 3-Phenyl-4-(4-aMinosulfonylbenzyl)-5-Methylisoxazole ,Valdecoxib Sulfonyl Chloride ,valdecoxib iMpurity D; Pecoxib impurity 4/4-(5-Methyl-3-phenylisoxazol-4-yl)benzenesulfonic acid; Valdecoxib Impurity 33; Pecoxib impurity 8 (Valdecoxib IMpurity D); 2,6-DICHLORO-4-(TRIFLUOROMETHYLOXY)BROMOBENZENE; Benzenesulfonic acid, 4-(5-Methyl-3-phenyl-4-isoxazolyl); Valdecoxib IMpurity D

物化性质

• 密度: 1.341±0.06 g/cm3
• 分子式: C₁₆H₁₃NO₄S
• 分子量: 315.344
• 精确质量: 315.056519
• PSA: 88.78000
• LogP: 1.60
• 折射率: 1.609
• 储存条件: 室温，干燥
• 水溶解性: Very slightly soluble (0.54 g/L) (25 ºC)

安全

• 危害码 (欧洲): Xi
• 海关编码: 2934999090

合成路线

37928-17-9 ~% 181696-35-5

文献：Reddy, Anumula Raghupathi; Goverdhan, Gilla; Sampath, Aalla; Mukkanti, Khagga; Reddy, Padi Pratap; Bandichhor, Rakeshwar Synthetic Communications, 2012 , vol. 42, # 5 p. 639 - 649

509074-26-4 ~99% 181696-35-5

文献：Reddy, Anumula Raghupathi; Goverdhan, Gilla; Sampath, Aalla; Mukkanti, Khagga; Reddy, Padi Pratap; Bandichhor, Rakeshwar Synthetic Communications, 2012 , vol. 42, # 5 p. 639 - 649

52201-28-2 ~% 181696-35-5

文献：Reddy, Anumula Raghupathi; Goverdhan, Gilla; Sampath, Aalla; Mukkanti, Khagga; Reddy, Padi Pratap; Bandichhor, Rakeshwar Synthetic Communications, 2012 , vol. 42, # 5 p. 639 - 649

103-79-7 ~% 181696-35-5

文献：Reddy, Anumula Raghupathi; Goverdhan, Gilla; Sampath, Aalla; Mukkanti, Khagga; Reddy, Padi Pratap; Bandichhor, Rakeshwar Synthetic Communications, 2012 , vol. 42, # 5 p. 639 - 649

857259-65-5 ~% 181696-35-5

文献：Reddy, Anumula Raghupathi; Goverdhan, Gilla; Sampath, Aalla; Mukkanti, Khagga; Reddy, Padi Pratap; Bandichhor, Rakeshwar Synthetic Communications, 2012 , vol. 42, # 5 p. 639 - 649

上下游产品

上游产品  5
37928-17-9 509074-26-4 52201-28-2 103-79-7
857259-65-5
下游产品  0

海关

海关编码	2934999090
中文概述	2934999090. 其他杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素	品名, 成分含量, 用途
Summary	2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%