Methyl 3-bromobenzoate
Methyl 3-bromobenzoate structure
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Common Name | Methyl 3-bromobenzoate | ||
|---|---|---|---|---|
| CAS Number | 618-89-3 | Molecular Weight | 215.044 | |
| Density | 1.5±0.1 g/cm3 | Boiling Point | 244.4±13.0 °C at 760 mmHg | |
| Molecular Formula | C8H7BrO2 | Melting Point | 31-33 °C(lit.) | |
| MSDS | USA | Flash Point | 101.6±19.8 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | Methyl 3-bromobenzoate |
|---|---|
| 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 | 1.5±0.1 g/cm3 |
|---|---|
| Boiling Point | 244.4±13.0 °C at 760 mmHg |
| Melting Point | 31-33 °C(lit.) |
| Molecular Formula | C8H7BrO2 |
| Molecular Weight | 215.044 |
| Flash Point | 101.6±19.8 °C |
| Exact Mass | 213.962936 |
| PSA | 26.30000 |
| LogP | 2.88 |
| Vapour Pressure | 0.0±0.5 mmHg at 25°C |
| Index of Refraction | 1.550 |
| InChIKey | KMFJVYMFCAIRAN-UHFFFAOYSA-N |
| SMILES | COC(=O)c1cccc(Br)c1 |
| Storage condition | Room temperature. |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
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Methyl 3-Bromobenzoate
Revision number: 1
SAFETY DATA SHEET Section1. BASE INFORMATION Product name:Methyl 3-Bromobenzoate Revision number:1 Section2. HAZARDS IDENTIFICATION Classification of the GHS PHYSICAL HAZARDSNot classified HEALTH HAZARDSNot classified Not classified ENVIRONMENTAL HAZARDS GHS label elements None Pictograms or hazard symbols Signal wordNo signal word None Hazard statement Precautionary statementsNone Section3. COMPOSITION/INFORMATION ON INGREDIENTS Substance/mixture:Substance Component(s):Methyl 3-Bromobenzoate Percent:>99.0%(GC) CAS Number:618-89-3 Synonyms:3-Bromobenzoic Acid Methyl Ester Chemical Formula:C8H7BrO2 Section4. FIRST AID MEASURES Inhalation:Remove victim to fresh air and keep at rest in a position comfortable for breathing. Get medical advice/attention if you feel unwell. Skin contact:Remove/Take off immediately all contaminated clothing. Rinse skin with water/shower. If skin irritation or rash occurs: Get medical advice/attention. Eye contact:Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. If eye irritation persists: Get medical advice/attention. Ingestion:Get medical advice/attention if you feel unwell. Rinse mouth. A rescuer should wear personal protective equipment, such as rubber gloves and air- Protection of first-aiders: tight goggles. Section5. FIRE-FIGHTING MEASURES Suitable extinguishingDry chemical, foam, water spray, carbon dioxide. media: Specific hazards:Take care as it may decompose upon combustion or in high temperatures to generate poisonous fume. Methyl 3-Bromobenzoate Section5. FIRE-FIGHTING MEASURES Specific methods:Fire-extinguishing work is done from the windward and the suitable fire-extinguishing method according to the surrounding situation is used. Uninvolved persons should evacuate to a safe place. In case of fire in the surroundings: Remove movable containers if safe to do so. Special protectiveWhen extinguishing fire, be sure to wear personal protective equipment. equipment for firefighters: Section6. ACCIDENTAL RELEASE MEASURES Use personal protective equipment. Keep people away from and upwind of spill/leak. Personal precautions, protective equipment and Entry to non-involved personnel should be controlled around the leakage area by emergency procedures: roping off, etc. Environmental precautions: Prevent product from entering drains. Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it. containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with up: appropriate laws and regulations. Section7. HANDLING AND STORAGE Handling Handling is performed in a well ventilated place. Wear suitable protective equipment. Technical measures: Prevent dispersion of dust. Wash hands and face thoroughly after handling. Use a local exhaust if dust or aerosol will be generated. Advice on safe handling:Avoid contact with skin, eyes and clothing. Storage Storage conditions:Keep container tightly closed. Store in a cool and dark place. Store away from incompatible materials such as oxidizing agents. Packaging material:Law is followed. Section8. EXPOSURE CONTROLS / PERSONAL PROTECTION Engineering controls:Install a closed system or local exhaust as possible so that workers should not be exposed directly. Also install safety shower and eye bath. Personal protective equipment Respiratory protection: Dust respirator. Follow local and national regulations. Hand protection:Protective gloves. Eye protection:Safety glasses. A face-shield, if the situation requires. Skin and body protection: Protective clothing. Protective boots, if the situation requires. Section9. PHYSICAL AND CHEMICAL PROPERTIES Physical state (20°C):Solid Form:crystal Color:White - Pale yellow Odor:No data available pH: No data available Melting point/freezing point:30°C (Freezing point) Boiling Point/Range:No data available Flash Point:No data available Explosive limits Lower:No data available Upper:No data available Density:No data available Solubility:No data available Section10. STABILITY AND REACTIVITY Stability:Stable under proper conditions. Reactivity:No special reactivity has been reported. Incompartible materials: oxidizing agents Methyl 3-Bromobenzoate Section10. STABILITY AND REACTIVITY Hazardous Decomposition Carbon monoxide, Carbon dioxide, Hydrogen bromide Products: Section11. TOXICOLOGICAL INFORMATION Acute Toxicity:No data available Skin corrosion/irritation: No data available Serious eyeNo data available damage/irritation: Germ cell mutagenicity: No data available Carcinogenicity: IARC =No data available NTP =No data available Reproductive toxicity:No data available Section12. ECOLOGICAL INFORMATION Ecotoxicity: No data available Fish: Crustacea:No data available No data available Algae: Persistence / degradability: No data available No data available Bioaccumulative potential(BCF): Mobillity in soil log Pow:No data available No data available Soil adsorption (Koc): Henry's LawNo data available constant(PaM3/mol): Section13. DISPOSAL CONSIDERATIONS Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all federal, state and local regulations when disposing of the substance. Section14. TRANSPORT INFORMATION Hazards Class:Does not correspond to the classification standard of the United Nations Not Listed UN-No: Section15. REGULATORY INFORMATION Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002): Safe use and production, the storage of a dangerous chemical, transport, loading and unloading were prescribed. Methyl 3-Bromobenzoate SECTION 16 - ADDITIONAL INFORMATION N/A |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Personal Protective Equipment | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
|---|---|
| Hazard Codes | Xi:Irritant; |
| Risk Phrases | R36/37/38 |
| Safety Phrases | S37/39-S26 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| 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#:93-58-3
CAS#:67-56-1
CAS#:585-76-2
CAS#:201230-82-2
CAS#:108-36-1
CAS#:3132-99-8
CAS#:181765-86-6
CAS#:1711-09-7
CAS#:3240-34-4
CAS#:618-91-7
CAS#:3739-38-6
CAS#:39115-96-3
CAS#:455-68-5
CAS#:1221794-86-0
CAS#:93-55-0![Methyl 3'-nitro-[1,1'-biphenyl]-3-carboxylate structure](https://image.chemsrc.com/caspic/206/149506-24-1.png)
CAS#:149506-24-1
CAS#:480425-35-2
CAS#:42498-44-2
CAS#:207845-32-7
CAS#:186086-71-5This 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 lists relevant public references with title, journal and publication metadata for this compound.
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Cyanation of aryl bromides with K4[Fe(CN)6] catalyzed by dichloro[bis{1-(dicyclohexylphosphanyl)piperidine}]palladium, a molecular source of nanoparticles, and the reactions involved in the catalyst-deactivation processes.
Chemistry 18(10) , 2978-86, (2012) Dichloro[bis{1-(dicyclohexylphosphanyl)piperidine}]palladium [(P{(NC(5)H(10))(C(6)H(11))(2)})(2)PdCl(2)] (1) is a highly active and generally applicable C-C cross-coupling catalyst. Apart from its hig... |
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Dual catalysis. Single-electron transmetalation in organoboron cross-coupling by photoredox/nickel dual catalysis.
Science 345(6195) , 433-6, (2014) The routine application of C(sp3)-hybridized nucleophiles in cross-coupling reactions remains an unsolved challenge in organic chemistry. The sluggish transmetalation rates observed for the preferred ... |
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Negishi cross-coupling reaction catalyzed by an aliphatic, phosphine based pincer complex of palladium. biaryl formation via cationic pincer-type PdIV intermediates. Gerber R, et al.
Dalton Trans. 40(35) , 8996-9003, (2011)
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This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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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
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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
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 3-methoxycarbonyl-1-bromobenzene |
| (3-bromophenyl)acetic acid methyl ester |
| m-bromobenzoic acid methyl ester |
| Methyl 3-bromobenzoate |
| Benzoic acid, m-bromo-, methyl ester |
| MFCD00017777 |
| Benzoic acid,3-bromo-,methyl ester |
| Methyl-3-brombenzolcarboxylat |
| Benzoic acid, 3-bromo-, methyl ester |
| methyl-3-bromobenzoate |
| Methyl m-bromobenzoate |
| EINECS 210-569-9 |
| 3-MeO2CC6H4Br |
| 3-Bromobenzoic acid,methyl ester |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular weight of Methyl 3-bromobenzoate? |
| A: Molecular weight of Methyl 3-bromobenzoate is 215.044. |
| Q: What are the upstream materials of Methyl 3-bromobenzoate? |
| A: Related upstream materials(CAS) of Methyl 3-bromobenzoate: 93-58-3;67-56-1;585-76-2;201230-82-2;108-36-1;3132-99-8;181765-86-6;1711-09-7;3240-34-4;618-91-7. |
| Q: What are the downstream products of Methyl 3-bromobenzoate? |
| A: Related downstream products(CAS) of Methyl 3-bromobenzoate: 3739-38-6;39115-96-3;455-68-5;1221794-86-0;93-55-0;149506-24-1;480425-35-2;42498-44-2;207845-32-7;186086-71-5. |
| Q: What is the CAS number of Methyl 3-bromobenzoate? |
| A: CAS number of Methyl 3-bromobenzoate is 618-89-3. |
| Q: What is the melting point of Methyl 3-bromobenzoate? |
| A: Melting point of Methyl 3-bromobenzoate is 31-33 °C(lit.). |
| Q: What is the boiling point of Methyl 3-bromobenzoate? |
| A: Boiling point of Methyl 3-bromobenzoate is 244.4±13.0 °C at 760 mmHg. |
| Q: What is the SMILES notation of Methyl 3-bromobenzoate? |
| A: SMILES notation of Methyl 3-bromobenzoate is COC(=O)c1cccc(Br)c1. |
| Q: What is the InChIKey of Methyl 3-bromobenzoate? |
| A: InChIKey of Methyl 3-bromobenzoate is KMFJVYMFCAIRAN-UHFFFAOYSA-N. |
| Q: What are the storage conditions for Methyl 3-bromobenzoate? |
| A: Storage conditions for Methyl 3-bromobenzoate: Room temperature. |
| Q: What is the molecular formula of Methyl 3-bromobenzoate? |
| A: Molecular formula of Methyl 3-bromobenzoate is C8H7BrO2. |
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. |
| Henan Tianfu Chemical Co., Ltd. |