Methyl 4-Iodobutanoate
Methyl 4-Iodobutanoate structure
|
Common Name | Methyl 4-Iodobutanoate | ||
|---|---|---|---|---|
| CAS Number | 14273-85-9 | Molecular Weight | 228.028 | |
| Density | 1.7±0.1 g/cm3 | Boiling Point | 199.7±13.0 °C at 760 mmHg | |
| Molecular Formula | C5H9IO2 | Melting Point | N/A | |
| MSDS | Chinese USA | Flash Point | 74.6±19.8 °C | |
| Symbol |
GHS07 |
Signal Word | Warning | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | Methyl 4-iodobutyrate |
|---|---|
| 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 | 1.7±0.1 g/cm3 |
|---|---|
| Boiling Point | 199.7±13.0 °C at 760 mmHg |
| Molecular Formula | C5H9IO2 |
| Molecular Weight | 228.028 |
| Flash Point | 74.6±19.8 °C |
| Exact Mass | 227.964722 |
| PSA | 26.30000 |
| LogP | 1.82 |
| Vapour Pressure | 0.3±0.4 mmHg at 25°C |
| Index of Refraction | 1.511 |
| InChIKey | NBCIIVXSBPDKOM-UHFFFAOYSA-N |
| SMILES | COC(=O)CCCI |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H315-H319-H335 |
| Precautionary Statements | P261-P305 + P351 + P338 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard Codes | Xi: Irritant; |
| Risk Phrases | 36/37/38 |
| Safety Phrases | 26-36 |
| RIDADR | NONH for all modes of transport |
| HS Code | 2915900090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~75%
Methyl 4-Iodobu... CAS#:14273-85-9 |
| Literature: Xu, Yao-Chang; Roughton, Andrew L.; Plante, Raymond; Goldstein, Solo; Deslongchamps, Pierre Canadian Journal of Chemistry, 1993 , vol. 71, # 8 p. 1152 - 1168 |
|
~%
Methyl 4-Iodobu... CAS#:14273-85-9 |
| Literature: Journal fuer Praktische Chemie (Leipzig), , vol. 34, p. 262 - 271 |
|
~%
Methyl 4-Iodobu... CAS#:14273-85-9 |
| Literature: Synthesis, , # 11 p. 963 - 965 |
|
~%
Methyl 4-Iodobu... CAS#:14273-85-9 |
| Literature: Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, , vol. 102, p. 369 Bulletin de la Societe Chimique de France, , vol. <2>46, p. 65 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 5 | |
|---|---|
| DownStream 8 | |
CAS#:112114-43-9
CAS#:1821-12-1![METHYL 4-[4-BENZYL-N-(2-METHOXYCARBONYLETHYL)]AMINOBUTYRATE structure](https://image.chemsrc.com/caspic/281/109386-71-2.png)
CAS#:109386-71-2
CAS#:1120-34-9
CAS#:87517-47-3
CAS#:93478-72-9
CAS#:49637-21-0![methyl 4-[2-formyl-5-(methoxymethyl)pyrrol-1-yl]butanoate structure](https://image.chemsrc.com/caspic/117/550348-26-0.png)
CAS#:550348-26-0This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2915900090 |
|---|---|
| Summary | 2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
|
Identification of stable S-adenosylmethionine (SAM) analogues derivatised with bioorthogonal tags: effect of ligands on the affinity of the E. coli methionine repressor, MetJ, for its operator DNA.
Org. Biomol. Chem. 7(4) , 635-8, (2009) The efficient synthesis of a range of stable SAM mimetics, and their ability to promote the binding of the E. coli methionine repressor (MetJ) to its operator DNA, is described. |
|
|
Hepatoprotective pyrrole derivatives of Lycium chinense fruits.
Bioorg. Med. Chem. Lett. 13(1) , 79-81, (2003) As a part of our search for hepatoprotective compounds from Lycium chinense fruits, three new pyrrole derivatives (1-3) were isolated. These compounds and a related synthetic methylated compound (4) w... |
|
|
IgE-mediated immediate-type hypersensitivity to the pyrazolone drug propyphenazone. Himly M, et al.
J. Allergy Clin. Immunol. 111(4) , 882-88, (2003)
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Butanoic acid, 4-iodo-, methyl ester |
| MFCD00674066 |
| Methyl 4-iodobutanoate |
| Butyric acid, 4-iodo-, methyl ester |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the LogP of Methyl 4-iodobutyrate? |
| A: LogP of Methyl 4-iodobutyrate is 1.82. |
| Q: What is the InChIKey of Methyl 4-iodobutyrate? |
| A: InChIKey of Methyl 4-iodobutyrate is NBCIIVXSBPDKOM-UHFFFAOYSA-N. |
| Q: What is the SMILES notation of Methyl 4-iodobutyrate? |
| A: SMILES notation of Methyl 4-iodobutyrate is COC(=O)CCCI. |
| Q: What is the boiling point of Methyl 4-iodobutyrate? |
| A: Boiling point of Methyl 4-iodobutyrate is 199.7±13.0 °C at 760 mmHg. |
| Q: What is the safety information for Methyl 4-iodobutyrate? |
| A: Safety information for Methyl 4-iodobutyrate: 26-36. |
| Q: What is the English name of Methyl 4-iodobutyrate? |
| A: The English name of Methyl 4-iodobutyrate is Methyl 4-iodobutyrate. |
| Q: What are the downstream products of Methyl 4-iodobutyrate? |
| A: Related downstream products(CAS) of Methyl 4-iodobutyrate: 112114-43-9;1821-12-1;109386-71-2;1120-34-9;87517-47-3;93478-72-9;49637-21-0;550348-26-0. |
| Q: What is the CAS number of Methyl 4-iodobutyrate? |
| A: CAS number of Methyl 4-iodobutyrate is 14273-85-9. |
| Q: What are the upstream materials of Methyl 4-iodobutyrate? |
| A: Related upstream materials(CAS) of Methyl 4-iodobutyrate: 3153-37-5;591235-25-5;96-48-0;67-56-1;7425-27-6. |
| Q: What is the polar surface area (PSA) of Methyl 4-iodobutyrate? |
| A: Polar surface area (PSA) of Methyl 4-iodobutyrate is 26.30000. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |