Chloromethylphthalimide (HCID 87154)

名称と識別子

優先名称: Chloromethylphthalimide
IUPAC: 2-(chloromethyl)isoindole-1,3-dione
現地名: N-クロロメチルフタルイミド
英語名: N-(Chloromethyl)phthalimide
分子式: C9H6ClNO2
分子量: 195.6

名称と別名

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

名称をさらに表示

N-クロロメチルフタルイミドN-(クロロメチル)フタルイミド2-(クロロメチル)-2H-イソインドール-1,3-ジオン2-(クロロメチル)イソインドリン-1,3-ジオンN-(クロロメチル)フタルイミド塩化物2-(クロロメチル)-1H-イソインドール-1,3(2H)-ジオンN-(クロロメチル) フタルイミドAKOS BBS-00000871TIMTEC-BB SBB000346N-(Chloromethyl)phthalimide,97%N-(Chloromethyl)phthalimide 97%N-(Chloromethyl)phthalimide, 98+%

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

データベース識別子

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

物性

構造計算による物性

XLogP: 2.2
極性表面積: 37.4 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 13
形式電荷: 0
複雑度: 230

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Other Nitrogen Rings

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physical DescriptionWhite powder; [Alfa Aesar MSDS]

物理化学的性質

融点: 131 · 131-135 °C (lit.)
沸点: 305.2 · 305.2±25.0 °C(Predicted)
比重(密度): 1.3228 · 1.3228 (rough estimate)
屈折率: 1.579 · 1.5790 (estimate)
貯蔵温度: 2 · 2-8°C
溶解性: 50 mg/mL · クロロホルム：可溶50mg/mL
外見: powder to crystal
酸解離定数(Pka): -2.63 · -2.63±0.20(Predicted)
色: White to Almost white
水溶解度: わずかに溶ける
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 データベース: 17564 · 17564-64-6(CAS DataBase Reference)
NISTの化学物質情報: N-(chloromethyl)phthalimide(17564-64-6)
EPAの化学物質情報: 1 H-Isoindole-1,3 · 1H-Isoindole-1,3(2H)-dione, 2-(chloromethyl)- (17564-64-6)

化学的性質

化学的特性white crystalline powder

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

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%)

安全データ

F: 9-21
wgk: 3
tsca: TSCA listed
ridadr: UN 2811 6.1 / PGIII
hs_code: 29251995
risk_code: 36/37/38-52/53-43-22
hazard_code: Xi,Xn
safety_code: 26-36-37/39-61-45
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

化学と産業

用途と製造

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

応用分野 · 1 件

使用N-(Chloromethyl)phthalimide is used as an agrochemical and medicine intermediates and is used in organic synthesis. Microporous membranes prepared from chemically modified polysulfone, which is a derivative of this compound have better streaming potential.

調製方法

純化方法Purify the imide by recrystallisation from EtOAc or CCl4 or via the 1:1 complex with pyridine [Sakellarios J Am Chem Soc 70 2822 1948, B.hme et al. Chem Ber 92 1258 1959]. [Beilstein 21/10 V 372.]