1-(3-Iodophenyl)methanamine
1-(3-Iodophenyl)methanamine structure
|
Common Name | 1-(3-Iodophenyl)methanamine | ||
|---|---|---|---|---|
| CAS Number | 696-40-2 | Molecular Weight | 233.050 | |
| Density | 1.8±0.1 g/cm3 | Boiling Point | 272.5±23.0 °C at 760 mmHg | |
| Molecular Formula | C7H8IN | Melting Point | 248-249℃(Solv: N，N-dimethylformamide (68-12-2)) | |
| MSDS | Chinese USA | Flash Point | 118.6±22.6 °C | |
| Symbol |
GHS07, GHS08 |
Signal Word | Danger | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3-Iodobenzylamine |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.8±0.1 g/cm3 |
|---|---|
| Boiling Point | 272.5±23.0 °C at 760 mmHg |
| Melting Point | 248-249℃(Solv: N，N-dimethylformamide (68-12-2)) |
| Molecular Formula | C7H8IN |
| Molecular Weight | 233.050 |
| Flash Point | 118.6±22.6 °C |
| Exact Mass | 232.970139 |
| PSA | 26.02000 |
| LogP | 2.12 |
| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
| Index of Refraction | 1.644 |
| InChIKey | LQLOGZQVKUNBRX-UHFFFAOYSA-N |
| SMILES | NCc1cccc(I)c1 |
| Storage condition | 2-8℃ |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS07, GHS08 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H315-H317-H319-H334-H335-H361 |
| Precautionary Statements | P261-P280-P305 + P351 + P338-P342 + P311 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Faceshields;Gloves |
| Hazard Codes | Xn:Harmful; |
| Risk Phrases | R36/37/38;R42/43;R63 |
| Safety Phrases | S23-S26-S36/37/39 |
| RIDADR | 2735 |
| WGK Germany | 3 |
| Packaging Group | II |
| Hazard Class | 8 |
| HS Code | 2921499090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~94%
1-(3-Iodophenyl... CAS#:696-40-2 |
| Literature: Haddenham, Dustin; Pasumansky, Lubov; DeSoto, Jamie; Eagon, Scott; Singaram, Bakthan Journal of Organic Chemistry, 2009 , vol. 74, # 5 p. 1964 - 1970 |
|
~61%
1-(3-Iodophenyl... CAS#:696-40-2 |
| Literature: Erdelyi, Mate; Varedian, Miranda; Skoeld, Christian; Niklasson, Ida B.; Nurbo, Johanna; Persson, Asa; Bergquist, Jonas; Gogoll, Adolf Organic and Biomolecular Chemistry, 2008 , vol. 6, # 23 p. 4356 - 4373 |
|
~%
1-(3-Iodophenyl... CAS#:696-40-2 |
| Literature: Journal of the Chemical Society, , p. 696,703 |
|
~%
1-(3-Iodophenyl... CAS#:696-40-2 |
| Literature: Journal of the Chemical Society, , p. 696,703 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 3 | |
|---|---|
| DownStream 10 | |
![[3-(1,2,4-triazol-1-yl)phenyl]methanamine structure](https://image.chemsrc.com/caspic/259/741717-66-8.png)
CAS#:741717-66-8
CAS#:696-41-3![(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[(3-iodophenyl)methylamino]purin-9-yl]oxolane-3,4-diol structure](https://image.chemsrc.com/caspic/294/163152-30-5.png)
CAS#:163152-30-5
CAS#:263351-43-5![9H-Purin-6-amine, N-[(3-iodophenyl)methyl] structure](https://image.chemsrc.com/caspic/496/72158-53-3.png)
CAS#:72158-53-3
CAS#:75578-55-1![CAINDEXNAME:GUANIDINE,[(3-IODOPHENYL)METHYL] structure](https://image.chemsrc.com/caspic/215/80663-95-2.png)
CAS#:80663-95-2
CAS#:80663-96-3![2-[(3-iodophenyl)methyl]-1,2-thiazol-3-one structure](https://image.chemsrc.com/caspic/478/918108-19-7.png)
CAS#:918108-19-7This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2921499090 |
|---|---|
| Summary | 2921499090 other aromatic monoamines and their derivatives; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
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Effect of an arginine-specific ADP-ribosyltransferase inhibitor on differentiation of embryonic chick skeletal muscle cells in culture.
Exp. Cell Res. 201(1) , 33-42, (1992) Primary cultures of embryonic chick skeletal myogenic cells were used as an experimental model to examine the possible role of mono(ADP-ribosyl)ation reactions in myogenic differentiation. Initial stu... |
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Inhibitory effects of meta-iodo-benzylguanidine (MIBG) on endothelial histamine receptor binding.
Biochim. Biophys. Acta 1379(1) , 143-50, (1998) Meta-iodo-benzylguanidine (MIBG), a selective inhibitor of mono-ADP-ribosylation, has been shown to inhibit histamine induced inositol-trisphosphate and prostacyclin production. The purpose of this st... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Distribution in dog adrenal medulla 30 min after administration.
Source: ChEMBL
Target: Canis lupus familiaris
External Id: CHEMBL625706
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| (3-Iodophenyl)methanamine |
| Z1R CI |
| meta-Iodobenzylamine |
| 1-(3-Iodophenyl)methanamine |
| 3-Iodobenzenemethanamine |
| MFCD00192227 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the melting point of 3-Iodobenzylamine? |
| A: Melting point of 3-Iodobenzylamine is 248-249℃(Solv: N，N-dimethylformamide (68-12-2)). |
| Q: What are the downstream products of 3-Iodobenzylamine? |
| A: Related downstream products(CAS) of 3-Iodobenzylamine: 69113-59-3;741717-66-8;696-41-3;163152-30-5;263351-43-5;72158-53-3;75578-55-1;80663-95-2;80663-96-3;918108-19-7. |
| Q: What are the upstream materials of 3-Iodobenzylamine? |
| A: Related upstream materials(CAS) of 3-Iodobenzylamine: 69113-59-3;49617-83-6;625-95-6. |
| Q: What is the InChIKey of 3-Iodobenzylamine? |
| A: InChIKey of 3-Iodobenzylamine is LQLOGZQVKUNBRX-UHFFFAOYSA-N. |
| Q: What are the storage conditions for 3-Iodobenzylamine? |
| A: Storage conditions for 3-Iodobenzylamine: 2-8℃. |
| Q: What is the molecular formula of 3-Iodobenzylamine? |
| A: Molecular formula of 3-Iodobenzylamine is C7H8IN. |
| Q: What is the molecular weight of 3-Iodobenzylamine? |
| A: Molecular weight of 3-Iodobenzylamine is 233.050. |
| Q: What is the boiling point of 3-Iodobenzylamine? |
| A: Boiling point of 3-Iodobenzylamine is 272.5±23.0 °C at 760 mmHg. |
| Q: What is the polar surface area (PSA) of 3-Iodobenzylamine? |
| A: Polar surface area (PSA) of 3-Iodobenzylamine is 26.02000. |
| Q: What is the safety information for 3-Iodobenzylamine? |
| A: Safety information for 3-Iodobenzylamine: S23-S26-S36/37/39. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |