3,3-Diphenylpropyl isocyanate
3,3-Diphenylpropyl isocyanate structure
|
Common Name | 3,3-Diphenylpropyl isocyanate | ||
|---|---|---|---|---|
| CAS Number | 41347-11-9 | Molecular Weight | 237.29600 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C16H15NO | Melting Point | 51-55ºC(lit.) | |
| MSDS | Chinese USA | Flash Point | N/A | |
| Symbol |
GHS07, GHS08 |
Signal Word | Danger | |
Summary: 3,3-Diphenylpropyl isocyanate (Chinese name: 3,3-二苯基丙基异氰酯, CAS number: 41347-11-9), molecular formula: C16H15NO, molecular weight: 237.29600. 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 | (3-isocyanato-1-phenylpropyl)benzene |
|---|---|
| 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.
| Melting Point | 51-55ºC(lit.) |
|---|---|
| Molecular Formula | C16H15NO |
| Molecular Weight | 237.29600 |
| Exact Mass | 237.11500 |
| PSA | 29.43000 |
| LogP | 3.54440 |
| InChIKey | BYTUPWXAZYPWKE-UHFFFAOYSA-N |
| SMILES | O=C=NCCC(c1ccccc1)c1ccccc1 |
| Storage condition | 2-8℃ |
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, GHS08 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H302-H312-H315-H319-H332-H334-H335 |
| Precautionary Statements | P261-P280-P305 + P351 + P338-P342 + P311 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Faceshields;Gloves |
| Hazard Codes | Xn |
| Risk Phrases | 20/21/22-36/37/38-42 |
| Safety Phrases | 26-36 |
| RIDADR | UN 3335 |
| HS Code | 2929109000 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~28%
3,3-Diphenylpro... CAS#:41347-11-9 |
| Literature: THE JOHNS HOPKINS UNIVERSITY; CASERO, Robert, A.; WOSTER, Patrick, M. Patent: WO2011/22489 A2, 2011 ; Location in patent: Page/Page column 39 ; WO 2011/022489 A2 |
|
~%
3,3-Diphenylpro... CAS#:41347-11-9 |
| Literature: PROSKELIA SAS Patent: WO2008/6625 A2, 2008 ; Location in patent: Page/Page column 45 ; |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 3 | |
|---|---|
| DownStream 0 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2929109000 |
|---|---|
| Summary | 2929109000. other isocyanates. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 3,3-diphenylpropylisocyanate |
| 3,3-Diphenylpropylisocyanat |
| MFCD10566941 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular formula of (3-isocyanato-1-phenylpropyl)benzene? |
| A: Molecular formula of (3-isocyanato-1-phenylpropyl)benzene is C16H15NO. |
| Q: What are the storage conditions for (3-isocyanato-1-phenylpropyl)benzene? |
| A: Storage conditions for (3-isocyanato-1-phenylpropyl)benzene: 2-8℃. |
| Q: What is the InChIKey of (3-isocyanato-1-phenylpropyl)benzene? |
| A: InChIKey of (3-isocyanato-1-phenylpropyl)benzene is BYTUPWXAZYPWKE-UHFFFAOYSA-N. |
| Q: What is the molecular weight of (3-isocyanato-1-phenylpropyl)benzene? |
| A: Molecular weight of (3-isocyanato-1-phenylpropyl)benzene is 237.29600. |
| Q: What is the polar surface area (PSA) of (3-isocyanato-1-phenylpropyl)benzene? |
| A: Polar surface area (PSA) of (3-isocyanato-1-phenylpropyl)benzene is 29.43000. |
| Q: What is the melting point of (3-isocyanato-1-phenylpropyl)benzene? |
| A: Melting point of (3-isocyanato-1-phenylpropyl)benzene is 51-55ºC(lit.). |
| Q: What is the LogP of (3-isocyanato-1-phenylpropyl)benzene? |
| A: LogP of (3-isocyanato-1-phenylpropyl)benzene is 3.54440. |
| Q: What is the SMILES notation of (3-isocyanato-1-phenylpropyl)benzene? |
| A: SMILES notation of (3-isocyanato-1-phenylpropyl)benzene is O=C=NCCC(c1ccccc1)c1ccccc1. |
| Q: What English synonyms does (3-isocyanato-1-phenylpropyl)benzene have? |
| A: English synonyms of (3-isocyanato-1-phenylpropyl)benzene: 3,3-diphenylpropylisocyanate, 3,3-Diphenylpropylisocyanat, MFCD10566941. |
| Q: What is the CAS number of (3-isocyanato-1-phenylpropyl)benzene? |
| A: CAS number of (3-isocyanato-1-phenylpropyl)benzene is 41347-11-9. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |