Methyl 3-bromo-2-(bromomethyl)propanoate
Methyl 3-bromo-2-(bromomethyl)propanoate structure
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Common Name | Methyl 3-bromo-2-(bromomethyl)propanoate | ||
|---|---|---|---|---|
| CAS Number | 22262-60-8 | Molecular Weight | 259.924 | |
| Density | 1.8±0.1 g/cm3 | Boiling Point | 246.9±0.0 °C at 760 mmHg | |
| Molecular Formula | C5H8Br2O2 | Melting Point | N/A | |
| MSDS | Chinese USA | Flash Point | 80.8±21.8 °C | |
| Symbol |
GHS07 |
Signal Word | Warning | |
Use of Methyl 3-bromo-2-(bromomethyl)propanoate |
Summary: Methyl 3-bromo-2-(bromomethyl)propanoate, also known as 3-bromo-2-(bromomethyl)propanoic acid methyl ester, has a CAS number of 22262-60-8, with a molecular formula of C5H8Br2O2 and molecular weight of 259.924. It is a transparent, colorless to yellow liquid with a boiling point of 246.9±0.0 °C and a density of 1.8±0.1 g/cm3. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | methyl 3-bromo-2-(bromomethyl)propanoate |
|---|---|
| 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 | 246.9±0.0 °C at 760 mmHg |
| Molecular Formula | C5H8Br2O2 |
| Molecular Weight | 259.924 |
| Flash Point | 80.8±21.8 °C |
| Exact Mass | 257.889099 |
| PSA | 26.30000 |
| LogP | 2.43 |
| Vapour Pressure | 0.0±0.5 mmHg at 25°C |
| Index of Refraction | 1.512 |
| InChIKey | USXVPPOARMSYGY-UHFFFAOYSA-N |
| SMILES | COC(=O)C(CBr)CBr |
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 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H315-H319-H335 |
| Precautionary Statements | P261-P305 + P351 + P338 |
| Personal Protective Equipment | Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard Codes | Xi: Irritant; |
| Risk Phrases | R36/37/38 |
| Safety Phrases | 26-36/37/39 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| HS Code | 2915900090 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 3 | |
|---|---|
| DownStream 6 | |
CAS#:67-56-1
CAS#:41459-42-1
CAS#:69193-75-5
CAS#:4224-69-5
CAS#:159029-60-4
CAS#:159029-33-1
CAS#:30982-08-2![methyl 9-oxobicyclo[3.3.1]nonane-3-carboxylate structure](https://image.chemsrc.com/caspic/335/123405-97-0.png)
CAS#:123405-97-0
CAS#:92806-63-8This table records publicly available preparation methods, process key points and operation references.
This 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.
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Reagent based DOS: a "Click, Click, Cyclize" strategy to probe chemical space.
Org. Biomol. Chem. 8(9) , 2198-203, (2010) The synthesis of small organic molecules as probes for discovering new therapeutic agents has been an important aspect of chemical-biology. Herein we report a reagent-based, diversity-oriented synthet... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Cytotoxicity against mouse EMT6 cells after 72 hrs by crystal violet staining
Source: ChEMBL
Target: EMT6
External Id: CHEMBL2015569
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Name: Inhibition of human recombinant Trx1/TrxR assessed as reduction in number of free thi...
Source: ChEMBL
Target: N/A
External Id: CHEMBL2015571
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Name: Cytotoxicity against mouse PancO2 cells after 72 hrs by crystal violet staining
Source: ChEMBL
Target: NON-PROTEIN TARGET
External Id: CHEMBL2015570
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Methyl 3-bromo-2-(bromomethyl)propanoate |
| methyl 1,3-dibromopropane-2-carboxylate |
| MFCD00011534 |
| Methyl Bis(bromomethyl)acetate |
| Methyl β,β'-Dibromoisobutyrate |
| Methyl 3-bromo-2-(bromomethyl)propionate |
| Propanoic acid, 3-bromo-2-(bromomethyl)-, methyl ester |
| MeO2CCH(CH2Br)2 |
| 3-bromo-2-(bromomethyl)propionic acid methyl ester |
| 3-bromo-2-(bromomethyl)propanoic acid methyl ester |
| Methyl3-bromo-2-(bromomethyl)propionate |
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-bromo-2-(bromomethyl)propanoate? |
| A: CAS number of methyl 3-bromo-2-(bromomethyl)propanoate is 22262-60-8. |
| Q: What is the InChIKey of methyl 3-bromo-2-(bromomethyl)propanoate? |
| A: InChIKey of methyl 3-bromo-2-(bromomethyl)propanoate is USXVPPOARMSYGY-UHFFFAOYSA-N. |
| Q: What are the downstream products of methyl 3-bromo-2-(bromomethyl)propanoate? |
| A: Related downstream products(CAS) of methyl 3-bromo-2-(bromomethyl)propanoate: 4224-69-5;159029-60-4;159029-33-1;30982-08-2;123405-97-0;92806-63-8. |
| Q: What English synonyms does methyl 3-bromo-2-(bromomethyl)propanoate have? |
| A: English synonyms of methyl 3-bromo-2-(bromomethyl)propanoate: Methyl 3-bromo-2-(bromomethyl)propanoate, methyl 1,3-dibromopropane-2-carboxylate, MFCD00011534, Methyl Bis(bromomethyl)acetate, Methyl β,β'-Dibromoisobutyrate, Methyl 3-bromo-2-(bromomethyl)propionate, Propanoic acid, 3-bromo-2-(bromomethyl)-, methyl ester, MeO2CCH(CH2Br)2, 3-bromo-2-(bromomethyl)propionic acid methyl ester, 3-bromo-2-(bromomethyl)propanoic acid methyl ester, Methyl3-bromo-2-(bromomethyl)propionate. |
| Q: What is the safety information for methyl 3-bromo-2-(bromomethyl)propanoate? |
| A: Safety information for methyl 3-bromo-2-(bromomethyl)propanoate: 26-36/37/39. |
| Q: How is methyl 3-bromo-2-(bromomethyl)propanoate prepared? |
| A: Preparation method for methyl 3-bromo-2-(bromomethyl)propanoate: . |
| Q: What is the SMILES notation of methyl 3-bromo-2-(bromomethyl)propanoate? |
| A: SMILES notation of methyl 3-bromo-2-(bromomethyl)propanoate is COC(=O)C(CBr)CBr. |
| Q: What is the molecular formula of methyl 3-bromo-2-(bromomethyl)propanoate? |
| A: Molecular formula of methyl 3-bromo-2-(bromomethyl)propanoate is C5H8Br2O2. |
| Q: What is the polar surface area (PSA) of methyl 3-bromo-2-(bromomethyl)propanoate? |
| A: Polar surface area (PSA) of methyl 3-bromo-2-(bromomethyl)propanoate is 26.30000. |
| Q: What is the molecular weight of methyl 3-bromo-2-(bromomethyl)propanoate? |
| A: Molecular weight of methyl 3-bromo-2-(bromomethyl)propanoate is 259.924. |
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. |