N-氯甲基邻苯二甲酰亚胺 (HCID 87154)

名称与标识

首选名称: Chloromethylphthalimide
IUPAC: 2-(chloromethyl)isoindole-1,3-dione
中文名: N-氯甲基邻苯二甲酰亚胺
英文名: N-(Chloromethyl)phthalimide
分子式: C9H6ClNO2
分子量: 195.6

名称与别名

17564-64-6N-(Chloromethyl)phthalimideChloromethylphthalimide1H-Isoindole-1,3(2H)-dione, 2-(chloromethyl)-N-Chloromethyltrimellitimide2-(Chloromethyl)-1H-isoindole-1,3(2H)-dionePhthalimide, N-(chloromethyl)-Phthalimide, N-chloromethyl-CCRIS 7991DTXSID3027790EINECS 241-541-4NSC 29558

展开更多名称

氯甲基酞胺N-(氯甲基)酞亚胺N-氯甲基苯甲酰亚胺N-(氯甲基)酞酰亚胺N-氯甲基邻苯二甲酰亚胺N-(氯甲基)酞亚胺,97%2-(氯甲基)异吲哚啉-1,3-二酮N-氯甲基邻苯二甲酰亚胺N-(氯甲基)酞亚胺N-氯甲基邻苯二甲酰亚胺[用于高效液相色谱标记]N-氯甲基邻苯二甲酰亚胺/用于高效液相色谱标记*5AKOS BBS-00000871TIMTEC-BB SBB000346N-(Chloromethyl)phthalimide,97%N-(Chloromethyl)phthalimide 97%N-(Chloromethyl)phthalimide, 98+%

N45CYY145ENSC-29558DTXCID807790PHTHALIMIDOMETHYL CHLORIDENChloromethylphthalimideRefChem:575906Phthalimide, NchloromethylPhthalimide, N(chloromethyl)

数据库标识

CAS: 17564-64-6
PubChem CID: 87154
DTXSID: DTXSID3027790
ChEMBL: CHEMBL369138
UNII: N45CYY145E
EC Number: 241-541-4
Nikkaji: J26.866F

性质

结构计算性质

XLogP: 2.2
极性表面积: 37.4 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 1
重原子: 13
形式电荷: 0
复杂度: 230

实验与物化性质

Chemical ClassesNitrogen Compounds -> Other Nitrogen Rings

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physical DescriptionWhite powder; [Alfa Aesar MSDS]

物理化学性质

熔点: 131 · 131-135 °C (lit.)
沸点: 305.2 · 305.2±25.0 °C(Predicted)
密度: 1.3228 · 1.3228 (rough estimate)
折射率: 1.579 · 1.5790 (estimate)
储存条件: 2 · 2-8°C
溶解度: 50 mg/mL · chloroform: soluble50mg/mL
酸度系数(pKa): -2.63 · -2.63±0.20(Predicted)
形态: powder to crystal
颜色: White to Almost white
水溶解性: slightly soluble
BRN: 140942 · 140942
InChI: InChI=1S/C9H6ClNO2/c10-5-11-8(12)6-3-1-2-4-7(6)9(11)13/h1-4H,5H2
InChIKey: JKGLRGGCGUQNEX-UHFFFAOYSA-N
SMILES: C1(=O)C2=C(C=CC=C2)C(=O)N1CCl
CAS 数据库: 17564 · 17564-64-6(CAS DataBase Reference)
NIST化学物质信息: N-(chloromethyl)phthalimide(17564-64-6)
EPA化学物质信息: 1 H-Isoindole-1,3 · 1H-Isoindole-1,3(2H)-dione, 2-(chloromethyl)- (17564-64-6)

化学性质

白色结晶性粉末

安全与法规

GHS分类

GHS Classification · 4 条

Danger

H301 (88.9%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危害信息

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See Phthalimide. See 1,2,3,6-Tetrahydrophthalimide and Folpet.

Hazard Classes and CategoriesAcute Tox. 3 (88.9%)

安全数据

F: 9-21
wgk: 3
tsca: TSCA listed
存储类别: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
安全说明: 26-36-37/39-61-45
海关编码: 29251995
危险品标志: Xi,Xn
危险性类别: Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
危险类别码: 36/37/38-52/53-43-22
危险品运输编号: UN 2811 6.1 / PGIII

化学与工业

用途与制造

General Manufacturing Information1H-Isoindole-1,3(2H)-dione, 2-(chloromethyl)-: ACTIVE

应用领域

用途农药中间体。

制备方法

生产方法由苯酐与碳酸氢铵反应得到邻苯二甲酰亚胺后，再经羟化、氯化而得。1.邻二甲酰亚胺的制备将苯酐和碳酸氢铵反应，得邻苯二甲酰亚胺。2.N-羟甲基苯二甲酰亚胺的制备将甲醛与邻苯二甲酰亚胺反应得N-羟甲基苯二甲酰亚胺。3.氯代甲基苯甲酰亚胺的制备将N-羟甲基苯二甲酰亚胺制得N-氯甲基苯甲酰亚胺。

上下游产品信息

上游原料

邻苯二甲酰亚胺甲苯

下游产品

双(二乙胺基)氯磷

试剂价格

A12018 · 100g: N-(氯甲基)邻苯二甲酰亚胺, 97%N-(Chloromethyl)phthalimide, 97% — 1253元
A5504 · 5G: N-氯甲基邻苯二甲酰亚胺[用于高效液相色谱标记]N-Chloromethylphthalimide [for HPLC Labeling] — 290元