- Mechanism of Retinoid X Receptor Partial Agonistic Action of 1-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-2-naphthyl)-1H-benzotriazole-5-carboxylic Acid and Structural Development To Increase PotencyOhsawa, Fuminori; Yamada, Shoya; Yakushiji, Nobumasa; Shinozaki, Ryosuke; Nakayama, Mariko; et al, Journal of Medicinal Chemistry, 2013, 56(5), 1865-1877
Cas no 89976-27-2 (methyl 4-iodo-3-nitro-benzoate)
89976-27-2 structure
Product Name:methyl 4-iodo-3-nitro-benzoate
CAS No:89976-27-2
MF:C8H6INO4
MW:307.042014598846
MDL:MFCD08064223
CID:91008
PubChem ID:297884
Update Time:2024-10-26
methyl 4-iodo-3-nitro-benzoate Chemical and Physical Properties
Names and Identifiers
-
- Methyl 4-iodo-3-nitrobenzoate
- 4-iodo-3-nitroBenzoic acid methyl ester
- NSC 169203
- methyl 4-iodo-3-nitro-benzoate
- DTXSID50305133
- Benzoic acid, 4-iodo-3-nitro-, methyl ester
- SCHEMBL1417265
- 4-iodo-3-nitro-benzoic acid methyl ester
- SCMBIQRYVKITCY-UHFFFAOYSA-N
- NSC-169203
- 4-iodo-3-nitro benzoic methyl ester
- EN300-7361193
- METHYL4-IODO-3-NITROBENZOATE
- AS-20096
- NSC169203
- SY047847
- CS-W019526
- 89976-27-2
- MFCD08064223
- AKOS009462780
-
- MDL： MFCD08064223
- Inchi： 1S/C8H6INO4/c1-14-8(11)5-2-3-6(9)7(4-5)10(12)13/h2-4H,1H3
- InChI Key： SCMBIQRYVKITCY-UHFFFAOYSA-N
- SMILES： O=C(C1C=C([N+](=O)[O-])C(I)=CC=1)OC
Computed Properties
- Exact Mass: 306.93400
- Monoisotopic Mass: 306.934
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 240
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 2.3
- Topological Polar Surface Area: 72.1A^2
Experimental Properties
- Color/Form: Yellow crystal powder
- Density: 1.904
- Melting Point: 103-105°C
- Boiling Point: 360.1°C at 760 mmHg
- Flash Point: 171.6°C
- Refractive Index: 1.631
- Water Partition Coefficient: Soluble in DCM 10mg/0.5mL. Insoluble in water.
- PSA: 72.12000
- LogP: 2.50920
- Sensitiveness: Light Sensitive
- Solubility: Insoluble in water
methyl 4-iodo-3-nitro-benzoate Security Information
- Hazard Category Code： 20/21/22-36/37/38
- Safety Instruction： 26-37/39
- Risk Phrases：R20/21/22; R36/37/38
methyl 4-iodo-3-nitro-benzoate Customs Data
- HS CODE：2916399090
- Customs Data：
China Customs Code:
2916399090Overview:
2916399090 Other aromatic monocarboxylic acids. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to, Acrylic acid\Acrylates or esters shall be packaged clearly
Summary:
2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%
methyl 4-iodo-3-nitro-benzoate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-FB455-1g |
methyl 4-iodo-3-nitro-benzoate |
89976-27-2 | 98% | 1g |
￥111.0 | 2022-06-09 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-FB455-5g |
methyl 4-iodo-3-nitro-benzoate |
89976-27-2 | 98% | 5g |
￥327.0 | 2022-06-09 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-FB455-250mg |
methyl 4-iodo-3-nitro-benzoate |
89976-27-2 | 98% | 250mg |
52CNY | 2021-05-08 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | M844191-1g |
Methyl 4-iodo-3-nitrobenzoate |
89976-27-2 | 98% | 1g |
114.00 | 2021-05-17 | |
| Fluorochem | 220191-250mg |
Methyl 4-iodo-3-nitrobenzoate |
89976-27-2 | 95% | 250mg |
￡10.00 | 2022-02-28 | |
| Fluorochem | 220191-1g |
Methyl 4-iodo-3-nitrobenzoate |
89976-27-2 | 95% | 1g |
￡17.00 | 2022-02-28 | |
| Fluorochem | 220191-5g |
Methyl 4-iodo-3-nitrobenzoate |
89976-27-2 | 95% | 5g |
￡39.00 | 2022-02-28 | |
| Fluorochem | 220191-10g |
Methyl 4-iodo-3-nitrobenzoate |
89976-27-2 | 95% | 10g |
￡69.00 | 2022-02-28 | |
| TRC | M321628-50mg |
Methyl 4-Iodo-3-nitrobenzoate |
89976-27-2 | 50mg |
$ 50.00 | 2022-06-04 | ||
| TRC | M321628-100mg |
Methyl 4-Iodo-3-nitrobenzoate |
89976-27-2 | 100mg |
$ 65.00 | 2022-06-04 |
methyl 4-iodo-3-nitro-benzoate Production Method
Production Method 1
Reaction Conditions
1.1 Reagents: Sulfuric acid Solvents: Methanol ; rt; overnight, rt
1.2 Reagents: Sodium bicarbonate Solvents: Water ; neutralized
1.2 Reagents: Sodium bicarbonate Solvents: Water ; neutralized
Reference
Production Method 2
Reaction Conditions
1.1 Reagents: Hydrochloric acid Solvents: Methanol ; 16 h, reflux
Reference
- Modulating Guest Uptake in Core-Shell MOFs with Visible LightMutruc, Dragos; Goulet-Hanssens, Alexis; Fairman, Sam; Wahl, Sebastian; Zimathies, Annett; et al, Angewandte Chemie, 2019, 58(37), 12862-12867
methyl 4-iodo-3-nitro-benzoate Raw materials
methyl 4-iodo-3-nitro-benzoate Preparation Products
methyl 4-iodo-3-nitro-benzoate Related Literature
-
Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
89976-27-2 (methyl 4-iodo-3-nitro-benzoate) Related Products
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- 93415-79-3(Methyl 2-iodo-3-nitrobenzoate)
- 57362-77-3(Ethyl 4-iodo-3-nitrobenzoate)
- 22027-41-4(3,5-Dinitro-4-Iodobenzoic Acid)
- 680620-78-4(methyl 5-amino-4-iodo-2-nitro-benzoate)
- 35674-27-2(4-Iodo-3-nitrobenzoic acid)
- 50765-19-0(3-Iodo-5-nitro-methylbenzoate)
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