3-(4-methylphenoxy)benzaldehyde
3-(4-methylphenoxy)benzaldehyde structure
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Common Name | 3-(4-methylphenoxy)benzaldehyde | ||
|---|---|---|---|---|
| CAS Number | 79124-75-7 | Molecular Weight | 212.24400 | |
| Density | 1.129g/cm3 | Boiling Point | 319.7ºC at 760mmHg | |
| Molecular Formula | C14H12O2 | Melting Point | N/A | |
| MSDS | Chinese USA | Flash Point | >235.4 °F | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3-(4-methylphenoxy)benzaldehyde |
|---|---|
| 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 | 1.129g/cm3 |
|---|---|
| Boiling Point | 319.7ºC at 760mmHg |
| Molecular Formula | C14H12O2 |
| Molecular Weight | 212.24400 |
| Exact Mass | 212.08400 |
| PSA | 26.30000 |
| LogP | 3.59980 |
| Index of Refraction | n20/D 1.59(lit.) |
| InChIKey | ASKLCRGXIJGVOY-UHFFFAOYSA-N |
| SMILES | Cc1ccc(Oc2cccc(C=O)c2)cc1 |
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.
| Personal Protective Equipment | Eyeshields;Gloves |
|---|---|
| RIDADR | NONH for all modes of transport |
| HS Code | 2912499000 |
| Flash Point(F) | >235.4 °F |
| Flash Point(C) | >113 °C |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~19%
3-(4-methylphen... CAS#:79124-75-7 |
| Literature: Takeda Pharmaceutical Company Limited Patent: EP1688138 A1, 2006 ; Location in patent: Page/Page column 90 ; EP 1688138 A1 |
|
~80%
3-(4-methylphen... CAS#:79124-75-7 |
| Literature: Sasaki, Shinobu; Kitamura, Shuji; Negoro, Nobuyuki; Suzuki, Masami; Tsujihata, Yoshiyuki; Suzuki, Nobuhiro; Santou, Takashi; Kanzaki, Naoyuki; Harada, Masataka; Tanaka, Yasuhiro; Kobayashi, Makoto; Tada, Norio; Funami, Miyuki; Tanaka, Toshimasa; Yamamoto, Yoshio; Fukatsu, Kohji; Yasuma, Tsuneo; Momose, Yu Journal of Medicinal Chemistry, 2011 , vol. 54, # 5 p. 1365 - 1378 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 4 | |
|---|---|
| DownStream 1 | |
CAS#:62507-86-2This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2912499000 |
|---|---|
| Summary | 2912499000. other aldehyde-ethers, aldehyde-phenols and aldehydes with other oxygen function. VAT:17.0%. Tax rebate rate:9.0%. . 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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Synthesis and activity of novel benzoxazole derivatives of mannopeptimycin glycopeptide antibiotics.
Bioorg. Med. Chem. Lett. 13(15) , 2607-10, (2003) A series of benzoxazole derivatives of the mannopeptimycin glycopeptide antibiotics was synthesized via a novel benzoxazole formation reaction by treating aminophenol of mannopeptimycin-beta with an a... |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| MFCD00003360 |
| einecs 279-068-0 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the InChIKey of 3-(4-methylphenoxy)benzaldehyde? |
| A: InChIKey of 3-(4-methylphenoxy)benzaldehyde is ASKLCRGXIJGVOY-UHFFFAOYSA-N. |
| Q: What is the polar surface area (PSA) of 3-(4-methylphenoxy)benzaldehyde? |
| A: Polar surface area (PSA) of 3-(4-methylphenoxy)benzaldehyde is 26.30000. |
| Q: What is the SMILES notation of 3-(4-methylphenoxy)benzaldehyde? |
| A: SMILES notation of 3-(4-methylphenoxy)benzaldehyde is Cc1ccc(Oc2cccc(C=O)c2)cc1. |
| Q: What is the LogP of 3-(4-methylphenoxy)benzaldehyde? |
| A: LogP of 3-(4-methylphenoxy)benzaldehyde is 3.59980. |
| Q: What English synonyms does 3-(4-methylphenoxy)benzaldehyde have? |
| A: English synonyms of 3-(4-methylphenoxy)benzaldehyde: MFCD00003360, einecs 279-068-0. |
| Q: What is the molecular formula of 3-(4-methylphenoxy)benzaldehyde? |
| A: Molecular formula of 3-(4-methylphenoxy)benzaldehyde is C14H12O2. |
| Q: What are the downstream products of 3-(4-methylphenoxy)benzaldehyde? |
| A: Related downstream products(CAS) of 3-(4-methylphenoxy)benzaldehyde: 62507-86-2. |
| Q: What is the CAS number of 3-(4-methylphenoxy)benzaldehyde? |
| A: CAS number of 3-(4-methylphenoxy)benzaldehyde is 79124-75-7. |
| Q: What is the English name of 3-(4-methylphenoxy)benzaldehyde? |
| A: The English name of 3-(4-methylphenoxy)benzaldehyde is 3-(4-methylphenoxy)benzaldehyde. |
| Q: What is the boiling point of 3-(4-methylphenoxy)benzaldehyde? |
| A: Boiling point of 3-(4-methylphenoxy)benzaldehyde is 319.7ºC at 760mmHg. |
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. |