2-(Bromomethyl)acrylic acid
2-(Bromomethyl)acrylic acid structure
|
Common Name | 2-(Bromomethyl)acrylic acid | ||
|---|---|---|---|---|
| CAS Number | 72707-66-5 | Molecular Weight | 164.985 | |
| Density | 1.7±0.1 g/cm3 | Boiling Point | 268.8±23.0 °C at 760 mmHg | |
| Molecular Formula | C4H5BrO2 | Melting Point | 70-73 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 116.4±22.6 °C | |
| Symbol |
GHS05 |
Signal Word | Danger | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-(bromomethyl)prop-2-enoic acid |
|---|---|
| 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 | 268.8±23.0 °C at 760 mmHg |
| Melting Point | 70-73 °C(lit.) |
| Molecular Formula | C4H5BrO2 |
| Molecular Weight | 164.985 |
| Flash Point | 116.4±22.6 °C |
| Exact Mass | 163.947281 |
| PSA | 37.30000 |
| LogP | 1.37 |
| Vapour Pressure | 0.0±1.2 mmHg at 25°C |
| Index of Refraction | 1.517 |
| InChIKey | NOOYFQLPKUQDNE-UHFFFAOYSA-N |
| SMILES | C=C(CBr)C(=O)O |
| Storage condition | 2-8°C |
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 |
GHS05 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H314 |
| Precautionary Statements | P280-P305 + P351 + P338-P310 |
| Personal Protective Equipment | Eyeshields;Faceshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges |
| Hazard Codes | C: Corrosive; |
| Risk Phrases | R34 |
| Safety Phrases | S26-S36/37/39-S45 |
| RIDADR | UN 3261 8/PG 2 |
| WGK Germany | 3 |
| Packaging Group | III |
| Hazard Class | 8 |
| HS Code | 2916190090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~65%
2-(Bromomethyl)... CAS#:72707-66-5 |
| Literature: Sun, Chong-Si; Cheng, Hsiu-Yi; Lin, Yu-Shiang; Hou, Duen-Ren Journal of the Chinese Chemical Society, 2008 , vol. 55, # 2 p. 435 - 438 |
|
~75%
2-(Bromomethyl)... CAS#:72707-66-5 |
| Literature: Khazaei, Ardeshir; Vaghei, Ramin Ghorbani; Karkhanei, Ebrahim Synthetic Communications, 2002 , vol. 32, # 14 p. 2107 - 2113 |
|
~57%
2-(Bromomethyl)... CAS#:72707-66-5 |
| Literature: Hoefling, Sarah B.; Hultsch, Christina; Wester, Hans-Juergen; Heinrich, Markus R. Tetrahedron, 2008 , vol. 64, # 52 p. 11846 - 11851 |
|
~%
2-(Bromomethyl)... CAS#:72707-66-5 |
| Literature: Chemische Berichte, , vol. 112, p. 3480 - 3485 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 4 | |
|---|---|
| DownStream 10 | |
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CAS#:910443-83-3This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2916190090 |
|---|---|
| Summary | 2916190090 unsaturated acyclic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。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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Folate analogues. 34. Synthesis and antitumor activity of non-polyglutamylatable inhibitors of dihydrofolate reductase.
J. Med. Chem. 34 , 222, (1991) Five analogues of methotrextate (MTX), 10-deazaaminopterin (10-DAM), and 10-ethyl-10-deazaaminopterin (10-EDAM) in which the glutamate moiety was replaced by either a gamma-methyleneglutamate or beta-... |
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Synthesis , 530, (1990)
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2-bromomethylacrilic acid |
| EINECS 276-774-0 |
| 2-(bromomethyl)propenoic acid |
| 2-(Bromomethyl)acrylic acid |
| MFCD00004259 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the polar surface area (PSA) of 2-(bromomethyl)prop-2-enoic acid? |
| A: Polar surface area (PSA) of 2-(bromomethyl)prop-2-enoic acid is 37.30000. |
| Q: What is the LogP of 2-(bromomethyl)prop-2-enoic acid? |
| A: LogP of 2-(bromomethyl)prop-2-enoic acid is 1.37. |
| Q: What is the SMILES notation of 2-(bromomethyl)prop-2-enoic acid? |
| A: SMILES notation of 2-(bromomethyl)prop-2-enoic acid is C=C(CBr)C(=O)O. |
| Q: What is the boiling point of 2-(bromomethyl)prop-2-enoic acid? |
| A: Boiling point of 2-(bromomethyl)prop-2-enoic acid is 268.8±23.0 °C at 760 mmHg. |
| Q: What is the InChIKey of 2-(bromomethyl)prop-2-enoic acid? |
| A: InChIKey of 2-(bromomethyl)prop-2-enoic acid is NOOYFQLPKUQDNE-UHFFFAOYSA-N. |
| Q: What is the CAS number of 2-(bromomethyl)prop-2-enoic acid? |
| A: CAS number of 2-(bromomethyl)prop-2-enoic acid is 72707-66-5. |
| Q: What English synonyms does 2-(bromomethyl)prop-2-enoic acid have? |
| A: English synonyms of 2-(bromomethyl)prop-2-enoic acid: 2-bromomethylacrilic acid, EINECS 276-774-0, 2-(bromomethyl)propenoic acid, 2-(Bromomethyl)acrylic acid, MFCD00004259. |
| Q: What is the molecular weight of 2-(bromomethyl)prop-2-enoic acid? |
| A: Molecular weight of 2-(bromomethyl)prop-2-enoic acid is 164.985. |
| Q: What are the upstream materials of 2-(bromomethyl)prop-2-enoic acid? |
| A: Related upstream materials(CAS) of 2-(bromomethyl)prop-2-enoic acid: 20605-01-0;79-41-4;10029-04-6;41459-42-1. |
| Q: What is the melting point of 2-(bromomethyl)prop-2-enoic acid? |
| A: Melting point of 2-(bromomethyl)prop-2-enoic acid is 70-73 °C(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. |