4,4'-Diisocyanato-3,3'-dimethylbiphenyl
4,4'-Diisocyanato-3,3'-dimethylbiphenyl structure
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Common Name | 4,4'-Diisocyanato-3,3'-dimethylbiphenyl | ||
|---|---|---|---|---|
| CAS Number | 91-97-4 | Molecular Weight | 264.279 | |
| Density | 1.1±0.1 g/cm3 | Boiling Point | 384.8±42.0 °C at 760 mmHg | |
| Molecular Formula | C16H12N2O2 | Melting Point | 70-72°C | |
| MSDS | N/A | Flash Point | 158.8±33.2 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 4,4'-Diisocyanato-3,3'-dimethyl-1,1'-biphenyl |
|---|---|
| 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 | 384.8±42.0 °C at 760 mmHg |
| Melting Point | 70-72°C |
| Molecular Formula | C16H12N2O2 |
| Molecular Weight | 264.279 |
| Flash Point | 158.8±33.2 °C |
| Exact Mass | 264.089874 |
| PSA | 58.86000 |
| LogP | 5.03 |
| Vapour Pressure | 0.0±0.9 mmHg at 25°C |
| Index of Refraction | 1.583 |
| InChIKey | ICLCCFKUSALICQ-UHFFFAOYSA-N |
| SMILES | Cc1cc(-c2ccc(N=C=O)c(C)c2)ccc1N=C=O |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xn |
|---|---|
| RTECS | DV3960000 |
| HS Code | 2929109000 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~91%
4,4'-Diisocyana... CAS#:91-97-4 |
| Literature: Butler; Alper Chemical Communications, 1998 , # 23 p. 2575 - 2576 |
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~%
4,4'-Diisocyana... CAS#:91-97-4 |
| Literature: Justus Liebigs Annalen der Chemie, , vol. 562, p. 75,1114 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 2 | |
|---|---|
| DownStream 1 | |
![1-Aziridinecarboxamide,N,N'-(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis- (9CI) structure](https://image.chemsrc.com/caspic/414/3259-65-2.png)
CAS#:3259-65-2This 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 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.
| 4,4'-Diisocyanato-3,3'-dimethylbiphenyl |
| MFCD00019908 |
| EINECS 202-112-7 |
| 1-isocyanato-4-(4-isocyanato-3-methylphenyl)-2-methylbenzene |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What English synonyms does 4,4'-Diisocyanato-3,3'-dimethyl-1,1'-biphenyl have? |
| A: English synonyms of 4,4'-Diisocyanato-3,3'-dimethyl-1,1'-biphenyl: 4,4'-Diisocyanato-3,3'-dimethylbiphenyl, MFCD00019908, EINECS 202-112-7, 1-isocyanato-4-(4-isocyanato-3-methylphenyl)-2-methylbenzene. |
| Q: What is the molecular formula of 4,4'-Diisocyanato-3,3'-dimethyl-1,1'-biphenyl? |
| A: Molecular formula of 4,4'-Diisocyanato-3,3'-dimethyl-1,1'-biphenyl is C16H12N2O2. |
| Q: What are the upstream materials of 4,4'-Diisocyanato-3,3'-dimethyl-1,1'-biphenyl? |
| A: Related upstream materials(CAS) of 4,4'-Diisocyanato-3,3'-dimethyl-1,1'-biphenyl: 75-44-5;612-82-8. |
| Q: What is the boiling point of 4,4'-Diisocyanato-3,3'-dimethyl-1,1'-biphenyl? |
| A: Boiling point of 4,4'-Diisocyanato-3,3'-dimethyl-1,1'-biphenyl is 384.8±42.0 °C at 760 mmHg. |
| Q: What is the polar surface area (PSA) of 4,4'-Diisocyanato-3,3'-dimethyl-1,1'-biphenyl? |
| A: Polar surface area (PSA) of 4,4'-Diisocyanato-3,3'-dimethyl-1,1'-biphenyl is 58.86000. |
| Q: What is the melting point of 4,4'-Diisocyanato-3,3'-dimethyl-1,1'-biphenyl? |
| A: Melting point of 4,4'-Diisocyanato-3,3'-dimethyl-1,1'-biphenyl is 70-72°C. |
| Q: What is the InChIKey of 4,4'-Diisocyanato-3,3'-dimethyl-1,1'-biphenyl? |
| A: InChIKey of 4,4'-Diisocyanato-3,3'-dimethyl-1,1'-biphenyl is ICLCCFKUSALICQ-UHFFFAOYSA-N. |
| Q: What is the English name of 4,4'-Diisocyanato-3,3'-dimethyl-1,1'-biphenyl? |
| A: The English name of 4,4'-Diisocyanato-3,3'-dimethyl-1,1'-biphenyl is 4,4'-Diisocyanato-3,3'-dimethyl-1,1'-biphenyl. |
| Q: What are the downstream products of 4,4'-Diisocyanato-3,3'-dimethyl-1,1'-biphenyl? |
| A: Related downstream products(CAS) of 4,4'-Diisocyanato-3,3'-dimethyl-1,1'-biphenyl: 3259-65-2. |
| Q: What is the CAS number of 4,4'-Diisocyanato-3,3'-dimethyl-1,1'-biphenyl? |
| A: CAS number of 4,4'-Diisocyanato-3,3'-dimethyl-1,1'-biphenyl is 91-97-4. |
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. |