2-Bromooctadecanoic acid
2-Bromooctadecanoic acid structure
|
Common Name | 2-Bromooctadecanoic acid | ||
|---|---|---|---|---|
| CAS Number | 142-94-9 | Molecular Weight | 363.373 | |
| Density | 1.1±0.1 g/cm3 | Boiling Point | 431.0±18.0 °C at 760 mmHg | |
| Molecular Formula | C18H35BrO2 | Melting Point | 58-60°C | |
| MSDS | Chinese USA | Flash Point | 214.5±21.2 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-bromooctadecanoic 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 | 1.1±0.1 g/cm3 |
|---|---|
| Boiling Point | 431.0±18.0 °C at 760 mmHg |
| Melting Point | 58-60°C |
| Molecular Formula | C18H35BrO2 |
| Molecular Weight | 363.373 |
| Flash Point | 214.5±21.2 °C |
| Exact Mass | 362.182037 |
| PSA | 37.30000 |
| LogP | 8.82 |
| Vapour Pressure | 0.0±2.2 mmHg at 25°C |
| Index of Refraction | 1.479 |
| InChIKey | KRBFFJIZAKABSA-UHFFFAOYSA-N |
| SMILES | CCCCCCCCCCCCCCCCC(Br)C(=O)O |
| Storage condition | −20°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.
| Hazard Codes | Xi |
|---|---|
| Risk Phrases | R36/37/38 |
| Safety Phrases | S26-S36/37/39 |
| WGK Germany | 3 |
| HS Code | 2915900090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~61%
2-Bromooctadeca... CAS#:142-94-9 |
| Literature: Abe, Tatsuichirou; Mori, Kenji Bioscience, Biotechnology, and Biochemistry, 1994 , vol. 58, # 9 p. 1671 - 1674 |
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~%
2-Bromooctadeca... CAS#:142-94-9 |
| Literature: Chemische Berichte, , vol. 24, p. 2395 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 2 | |
|---|---|
| DownStream 10 | |
CAS#:506-12-7
CAS#:629-22-1
CAS#:5340-63-6
CAS#:111-61-5
CAS#:2420-35-1
CAS#:7152-35-4
CAS#:65164-70-7
CAS#:96-56-0
CAS#:5782-80-9
CAS#:629-90-3This 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 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
|
|
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.
| 2-Bromooctadecanoic acid |
| 2-Brom-octadecansaeure |
| Bromonucleic acid |
| Octadecanoic acid,2-bromo |
| 2-Bromostearic acid |
| EINECS 205-573-2 |
| 2-bromo-octadecanoic acid |
| MFCD00021694 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What are the storage conditions for 2-bromooctadecanoic acid? |
| A: Storage conditions for 2-bromooctadecanoic acid: −20°C. |
| Q: What is the SMILES notation of 2-bromooctadecanoic acid? |
| A: SMILES notation of 2-bromooctadecanoic acid is CCCCCCCCCCCCCCCCC(Br)C(=O)O. |
| Q: What is the molecular weight of 2-bromooctadecanoic acid? |
| A: Molecular weight of 2-bromooctadecanoic acid is 363.373. |
| Q: What is the safety information for 2-bromooctadecanoic acid? |
| A: Safety information for 2-bromooctadecanoic acid: S26-S36/37/39. |
| Q: What is the molecular formula of 2-bromooctadecanoic acid? |
| A: Molecular formula of 2-bromooctadecanoic acid is C18H35BrO2. |
| Q: What English synonyms does 2-bromooctadecanoic acid have? |
| A: English synonyms of 2-bromooctadecanoic acid: 2-Bromooctadecanoic acid, 2-Brom-octadecansaeure, Bromonucleic acid, Octadecanoic acid,2-bromo, 2-Bromostearic acid, EINECS 205-573-2, 2-bromo-octadecanoic acid, MFCD00021694. |
| Q: What is the polar surface area (PSA) of 2-bromooctadecanoic acid? |
| A: Polar surface area (PSA) of 2-bromooctadecanoic acid is 37.30000. |
| Q: What is the LogP of 2-bromooctadecanoic acid? |
| A: LogP of 2-bromooctadecanoic acid is 8.82. |
| Q: What is the CAS number of 2-bromooctadecanoic acid? |
| A: CAS number of 2-bromooctadecanoic acid is 142-94-9. |
| Q: What is the boiling point of 2-bromooctadecanoic acid? |
| A: Boiling point of 2-bromooctadecanoic acid is 431.0±18.0 °C at 760 mmHg. |
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. |