二塩化5アミノ2,4,6トリヨ-ドイソフタロイル

5-Amino-2,4,6-triiodoisophthaloyl dichloride

HCID 9894858

基本情報

CAS
37441-29-5
標準SMILES
Nc1c(I)c(C(=O)Cl)c(I)c(C(=O)Cl)c1I
InChIKey
FBJVWRITWDYUAC-UHFFFAOYSA-N
分子式
C8H2Cl2I3NO2
平均分子量
595.72 g/mol
単同位体質量
594.65967766

名称と識別子

優先名称
5-Amino-2,4,6-triiodoisophthaloyl dichloride
IUPAC
5-amino-2,4,6-triiodobenzene-1,3-dicarbonyl chloride
現地名
二塩化5アミノ2,4,6トリヨ-ドイソフタロイル
英語名
5-Amino-2,4,6-triiodoisophthaloyl dichloride
分子式
C8H2Cl2I3NO2
分子量
595.73

名称と別名

37441-29-55-amino-2,4,6-triiodoisophthaloyl dichloride5-Amino-2,4,6-triiodoisophthaloyl ChlorideIohexol impurity L [EP]3,5-Bis(chlorocarbonyl)-2,4,6-triiodobenzenamine9OP12587AJ5-Amino-2,4,6-triiodo-1,3-benzenedicarboxylic Acid Dichloride1,3-Benzenedicarbonyl dichloride, 5-amino-2,4,6-triiodo-DTXSID20190891EC 417-220-15-Amino-2,4,6-triiodo-1,3-benzenedicarbonyldichlorideIOHEXOL IMPURITY L [EP IMPURITY]
名称をさらに表示
二塩化5アミノ2,4,6トリヨ-ドイソフタロイル5-アミノ-2,4,6-トリヨードイソフタロイルジクロリド5-Amino-2,4,6-triiodoisophthalic acid dichlorideATIPA-DICLATIPA DICHLORIDEIohexol Impurity 95-Amino-2,4,6- trii5-Amino-2,4,6-TriodoisophthaloAmino triiodisophthaloyl dichloride5-amino-2,4,6-triiodisophthaloyl dichlor
IOHEXOL IMPURITY L (EP IMPURITY)Iohexol impurity LRefChem:532086DTXCID60113382417-220-1609-431-4Iohexol EP Impurity L5-Amino-2,4,6-triiodisophthaloyl acid dichloride

データベース識別子

CAS
37441-29-5
PubChem CID
9894858
DTXSID
DTXSID20190891
UNII
9OP12587AJ
EC Number
417-220-1、609-431-4
Nikkaji
J1.637.262E

物性

構造計算による物性

XLogP
4.2
極性表面積
60.2 Ų
水素結合供与体数
1
水素結合受容体数
3
回転可能結合数
2
重原子数
16

物理化学的性質

融点
231 °C · 231°C(lit.)
沸点
566.9 · 566.9±50.0 °C(Predicted)
比重(密度)
2.826 · 2.826±0.06 g/cm3(Predicted)
蒸気圧
0.018 Pa · 0.018Pa at 20℃
貯蔵温度
Refrigerator, under inert atmosphere
溶解性
アセトン(微量)、メタノール(微量)

化学的性質

化学的特性Yellow Solid

安全と法規制

GHS分類

GHS Classification · 6 件

Warning

H317: May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Warning

H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

危険有害性情報

Regulatory InformationStatus: Active Update: 11-06-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/12669
Hazard Classes and Categories · 3 件

Skin Sens. 1 (100%)

Skin sensitisation - category 1

Skin Sens. 1

安全データ

ridadr
3077
hs_code
2922.49.3700
risk_code
43-51/53
安衛法
変異原性物質
hazard_code
Xi,N
safety_code
22-36/37-61

化学と産業

応用分野 · 2 件

説明5-Amino-2,4,6-triiodoisophthaloyl dichloride is a triiodinated compound that has been shown to bind to the receptor for asialoglycoprotein. It is used in the diagnosis of liver and kidney diseases. 5-Amino-2,4,6-triiodisophthaloyl acid dichloride is taken up by tissues and organs and causes damage to these tissues. The chloride ion binds to the molecule, making it more water soluble. The lactobionic acid residue is then cleaved off by an enzyme in the cell called beta-galactosidase. This leaves a molecule containing iodine which can be detected with a diagnostic technique such as X-ray crystallography or nuclear magnetic resonance spectroscopy.

使用5-Amino-2,4,6- triiodisophthaloyl acid dichloride is used in the preparation of trimeric X-ray contrast agents.

調製方法 · 1 件

製造方法5-Amino-2,4,6-triiodo-isophtalic acid (30 g, 0.054 mol), thionyl chloride (8.2 ml, 0.113 mol) and pyridine (0.2 ml) in 1 ,2 dichloroethane (20 ml) were heated to 70 ℃. A portion of thionyl chloride (15.2 ml, 0.21 mol) was added dropwise during 2 h, and the mixture was heated to 85 ℃ for 6 h. After cooling the reaction mixture to room temperature, it was poured into 300 g of ice-water. The yellow precipitate was filtered off, sucked dry and then washed with water until pH=5. The filter cake was then dried in a vacuum oven for 3 hrs. A light yellow powder was obtained as 5-Amino-2,4,6-triiodisophthaloyl acid dichloride.

サプライヤー100 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
上海泰矶林实业有限公司02150630626 17717886015 · [email protected]
Shanghai Yingrui Biopharma Co.,Ltd21-33585366 · [email protected]

関連反応

27 件

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