Methyl 3-iodobenzoate
Methyl 3-iodobenzoate structure
|
Common Name | Methyl 3-iodobenzoate | ||
|---|---|---|---|---|
| CAS Number | 618-91-7 | Molecular Weight | 262.044 | |
| Density | 1.8±0.1 g/cm3 | Boiling Point | 284.4±23.0 °C at 760 mmHg | |
| Molecular Formula | C8H7IO2 | Melting Point | 113-115ºC(lit.) | |
| MSDS | Chinese USA | Flash Point | 125.8±22.6 °C | |
| Symbol |
GHS05 |
Signal Word | Danger | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | Methyl 3-iodobenzoate |
|---|---|
| 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 | 284.4±23.0 °C at 760 mmHg |
| Melting Point | 113-115ºC(lit.) |
| Molecular Formula | C8H7IO2 |
| Molecular Weight | 262.044 |
| Flash Point | 125.8±22.6 °C |
| Exact Mass | 261.949066 |
| PSA | 26.30000 |
| LogP | 3.31 |
| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
| Index of Refraction | 1.597 |
| InChIKey | NPXOIGSBRLCOSD-UHFFFAOYSA-N |
| SMILES | COC(=O)c1cccc(I)c1 |
| Storage condition | Refrigerator (+4°C) |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS05 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H318 |
| Precautionary Statements | P280-P305 + P351 + P338 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard Codes | Xn: Harmful; |
| Risk Phrases | 41-51/53 |
| Safety Phrases | 53-26-39-61 |
| RIDADR | UN 3077 9 / PGIII |
| HS Code | 2916399090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 10 | |
|---|---|
| DownStream 10 | |
CAS#:67-56-1
CAS#:618-51-9
CAS#:93-58-3
CAS#:98-86-2
CAS#:19718-49-1
CAS#:3240-34-4
CAS#:585524-77-2
CAS#:19438-10-9
CAS#:107658-28-6
CAS#:618-89-3
CAS#:39115-94-1
CAS#:14899-31-1
CAS#:207845-32-7
CAS#:197658-21-2
CAS#:3441-03-0
CAS#:21860-07-1
CAS#:1877-71-0
CAS#:99-36-5
CAS#:99769-19-4This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2916399090 |
|---|---|
| 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% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
|
Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
|
|
Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| MFCD00061093 |
| Methyl 3-iodobenzoate |
| methyl_3-iodobenzoate |
| 3-Iodomethylbenzoate |
| 3-iodobenzoic acid methyl ester |
| EINECS 210-570-4 |
| Benzoic acid, m-iodo-, methyl ester (8CI) |
| Benzoic acid,m-iodo-,methyl ester |
| Methyl m-iodobenzoate |
| m-MeO2C7H4I |
| Methyl3-iodobenzoate |
| Benzoic acid,3-iodo-,methyl ester |
| methyl meta-iodobenzoate |
| Benzoic acid, 3-iodo-, methyl ester |
| m-iodobenzoic acid methyl ester |
| Benzoic acid, m-iodo-, methyl ester |
| 3-carbomethoxyiodobenzene |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the CAS number of Methyl 3-iodobenzoate? |
| A: CAS number of Methyl 3-iodobenzoate is 618-91-7. |
| Q: What are the downstream products of Methyl 3-iodobenzoate? |
| A: Related downstream products(CAS) of Methyl 3-iodobenzoate: 39115-94-1;14899-31-1;207845-32-7;197658-21-2;3441-03-0;21860-07-1;1877-71-0;99-36-5;99769-19-4;618-89-3. |
| Q: What is the molecular weight of Methyl 3-iodobenzoate? |
| A: Molecular weight of Methyl 3-iodobenzoate is 262.044. |
| Q: What is the InChIKey of Methyl 3-iodobenzoate? |
| A: InChIKey of Methyl 3-iodobenzoate is NPXOIGSBRLCOSD-UHFFFAOYSA-N. |
| Q: What are the upstream materials of Methyl 3-iodobenzoate? |
| A: Related upstream materials(CAS) of Methyl 3-iodobenzoate: 67-56-1;618-51-9;93-58-3;98-86-2;19718-49-1;3240-34-4;585524-77-2;19438-10-9;107658-28-6;618-89-3. |
| Q: What is the LogP of Methyl 3-iodobenzoate? |
| A: LogP of Methyl 3-iodobenzoate is 3.31. |
| Q: What is the English name of Methyl 3-iodobenzoate? |
| A: The English name of Methyl 3-iodobenzoate is Methyl 3-iodobenzoate. |
| Q: What are the storage conditions for Methyl 3-iodobenzoate? |
| A: Storage conditions for Methyl 3-iodobenzoate: Refrigerator (+4°C). |
| Q: What is the boiling point of Methyl 3-iodobenzoate? |
| A: Boiling point of Methyl 3-iodobenzoate is 284.4±23.0 °C at 760 mmHg. |
| Q: What is the melting point of Methyl 3-iodobenzoate? |
| A: Melting point of Methyl 3-iodobenzoate is 113-115ºC(lit.). |
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. |