2913-97-5

• 常用中文名：N-(2-乙醛基)-邻苯二甲酰亚胺
• 常用英文名：N-(2-Oxoethyl)phthalimide
• CAS号：2913-97-5
• 分子式：C₁₀H₇NO₃
• 分子量：189.167
• 发布时间：2018-04-21 08:00:00
• 更新时间：2026-06-30 16:27:51

名称

• 中文名: 苯二甲酰亚氨基乙醛
• 英文名: 2-(1,3-dioxoisoindol-2-yl)acetaldehyde
• 中文别名: N-(2-乙醛基)邻苯二甲酰亚胺; 2-(1,3-二氧代-2-异吲哚啉基)乙醛; N-(甲酰基甲基邻苯二甲酰亚胺; (1,3-二羰基-1,3-二氢异吲哚-2-YL)乙醛; N-甲酰甲基邻苯二甲; N-甲酰甲基邻苯二甲酰亚胺
• 英文别名: 2-(1,3-DIOXOISOINDOLIN-2-YL)ACETALDEHYDE; Phthalimidoacetaldehyde; (1,3-DIOXO-1,3-DIHYDROISOINDOL-2-YL)ACETALDEHYDE; N-(FORMYLMETHYL)PHTHALIMIDE; Phthalylglycine aldehyde; Phthalimidoacetaldehyde>; (1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)acetaldehyde; 2-(phthalimido)acetaldehyde; 2-(1,3-diketoisoindolin-2-yl)acetaldehyde; Acetaldehyde,phthalimido; N-(2-Formyl)phthalimide; Phthalimide,N-(formylmethyl); 1,3-Dihydro-1,3-dioxo-2H-isoindol-2-acetaldehyde; 2-(1,3-Dioxo-1,3-dihydroisoindol-2-yl)acetaldehyde; Phthalimideacetaldehyde; 2-(1,3-Dioxoisoindolin-2-yl)acetaldehyde; (1,3-Dioxo-1,3-dihydroisoindol-2-yl); PHTHALIMIDOACETALDEHYDE; N-(2-OXOETHYL)PHTHALIMIDE; 2-(1,3-Dioxoisoindol-2-yl)ethanal; 1,3-Dihydro-1,3-dioxo-2H-isoindole-2-acetaldehyde; 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetaldehyde; Rucapib Intermediate 1; N-Phthalylaminoacetaldehyde; (1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)-ACETALDEHYDE; Rucaparib Intermediate 1; 2-PHTHALIMIDOACETALDEHYDE; 1,3-dihydro-1,3-dioxo-2H-isoindole-2-acetaldehyde; [(1,3-Dioxo-1,3-dihydro-2H-isoindole)-2-yl]acetaldehyde; (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetaldehyde; 1,3-DIOXO-2-ISOINDOLINEACETALDEHYDE; n-(formylmethyl)-phthalimid; N-phthalimidyl-2-aminoacetaldehyde; 2-Phthalimidylacetaldehyde; N - (2-acetaldehyde) phthalimide; N-(Formylmethyl)phthalimide; dimethyl acetal of phthalimidoacetaldehyde; 2-(1,3-Dioxo-2-isoindolinyl)acetaldehyde; (1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-acetaldehyde; 2H-Isoindole-2-acetaldehyde,1,3-dihydro-1,3-dioxo

物化性质

• 密度: 1.4±0.1 g/cm3
• 沸点: 324.3±25.0 °C at 760 mmHg
• 熔点: 116-118ºC
• 分子式: C₁₀H₇NO₃
• 分子量: 189.167
• 闪点: 151.5±15.5 °C
• 精确质量: 189.042587
• PSA: 54.45000
• LogP: 1.32
• 外观性状: 灰白色固体
• 蒸汽压: 0.0±0.7 mmHg at 25°C
• 折射率: 1.602
• 储存条件: <0°C;存放于惰性气体之中;避免空气
• 水溶解性: 可溶于：甲醇
• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:0

  3.氢键受体数量:3

  4.可旋转化学键数量:2

  5.互变异构体数量:2

  6.拓扑分子极性表面积:54.4

  7.重原子数量:14

  8.表面电荷:0

  9.复杂度:263

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : TI5125000 CHEMICAL NAME : Phthalimide, N-(formylmethyl)- CAS REGISTRY NUMBER : 2913-97-5 BEILSTEIN REFERENCE NO. : 0154145 LAST UPDATED : 199612 DATA ITEMS CITED : 1 MOLECULAR FORMULA : C10-H7-N-O3 MOLECULAR WEIGHT : 189.18 WISWESSER LINE NOTATION : T56 BVNVJ C1VH HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 1725 mg/kg TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold Behavioral - excitement REFERENCE : JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 57,815,1968

安全

• 危害码 (欧洲): Xi
• 海关编码: 2925190090

合成路线

海关

海关编码	2925190090
中文概述	2925190090 其他酰亚胺及其衍生物盐. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:30.0%
申报要素	品名, 成分含量, 用途
Summary	2925190090 other imides and their derivatives; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%