o-nitroaniline
o-nitroaniline structure
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Common Name | o-nitroaniline | ||
|---|---|---|---|---|
| CAS Number | 88-69-7 | Molecular Weight | 136.191 | |
| Density | 1.0±0.1 g/cm3 | Boiling Point | 213.5±0.0 °C at 760 mmHg | |
| Molecular Formula | C9H12O | Melting Point | 12-16 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 88.9±0.0 °C | |
| Symbol |
GHS05, GHS07 |
Signal Word | Danger | |
Summary: 2-Isopropylphenol (CAS: 88-69-7, molecular formula: C9H12O, molecular weight: 136.191) is a transparent to pale yellow liquid. It is primarily used for the synthesis of isopropylphenol and is a key intermediate in the production of acetamiprid, an amide-class insecticide. 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 | 2-isopropylphenol |
|---|---|
| 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 | 1.0±0.1 g/cm3 |
|---|---|
| Boiling Point | 213.5±0.0 °C at 760 mmHg |
| Melting Point | 12-16 °C(lit.) |
| Molecular Formula | C9H12O |
| Molecular Weight | 136.191 |
| Flash Point | 88.9±0.0 °C |
| Exact Mass | 136.088821 |
| PSA | 20.23000 |
| LogP | 2.82 |
| Vapour Pressure | 0.1±0.4 mmHg at 25°C |
| Index of Refraction | 1.526 |
| InChIKey | CRBJBYGJVIBWIY-UHFFFAOYSA-N |
| SMILES | CC(C)c1ccccc1O |
| Water Solubility | insoluble |
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.
| Symbol |
GHS05, GHS07 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H302-H314 |
| Precautionary Statements | P280-P305 + P351 + P338-P310 |
| Personal Protective Equipment | Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard Codes | Xn:Harmful; |
| Risk Phrases | R34 |
| Safety Phrases | S26-S36/37/39-S45-S28 |
| RIDADR | UN 3145 8/PG 2 |
| WGK Germany | 3 |
| RTECS | SL5900000 |
| Packaging Group | II |
| Hazard Class | 8 |
| HS Code | 29071900 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 9 | |
|---|---|
| DownStream 10 | |
CAS#:7073-94-1
CAS#:89787-12-2
CAS#:2944-47-0
CAS#:187737-37-7
CAS#:108-95-2
CAS#:2741-16-4
CAS#:676-58-4
CAS#:346433-42-9
CAS#:67-63-0
CAS#:56309-56-9
CAS#:4074-51-5
CAS#:99-93-4
CAS#:14366-59-7
CAS#:4427-56-9
CAS#:22791-95-3
CAS#:22009-41-2
CAS#:2934-05-6
CAS#:2078-54-8This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2907191010 |
|---|---|
| Summary | HS: 2907191010 2-isopropylphenol Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) VAT:17.0% MFN tariff:4.0% General tariff:11.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
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Calculating virtual log P in the alkane/water system (log P(N)(alk)) and its derived parameters deltalog P(N)(oct-alk) and log D(pH)(alk).
J. Med. Chem. 48 , 3269-79, (2005) Growing interest in the use of both the logarithm of the partition coefficient of the neutral species in the alkane/water system (log P(N)(alk)) and the difference between log P(N)(oct) (the logarithm... |
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Cellular apoptosis and cytotoxicity of phenolic compounds: a quantitative structure-activity relationship study.
J. Med. Chem. 48 , 7234-42, (2005) In this comprehensive study on the caspase-mediated apoptosis-inducing effect of 51 substituted phenols in a murine leukemia cell line (L1210), we determined the concentrations needed to induce caspas... |
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Importance of solvent association in the estimation of antioxidant properties of phenolic compounds by DPPH method.
J. Food Sci. Technol. 52 , 4523-9, (2015) The presented paper shows the influence of temperature increase in the range typically used during antioxidant measurements (15-35 °C) on the estimation of antioxidant properties of phenolic compounds... |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| QR BY1&1 |
| 1-Hydroxy-2-isopropylbenzene |
| EINECS 201-852-8 |
| MFCD00002224 |
| o-Cumenol |
| o-nitroaniline |
| 2-Isopropylphenol |
| o-Hydroxycumene |
| 2-(1-Methylethyl)phenol |
| 2-propan-2-ylphenol |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the LogP of 2-isopropylphenol? |
| A: LogP of 2-isopropylphenol is 2.82. |
| Q: What is the English name of 2-isopropylphenol? |
| A: The English name of 2-isopropylphenol is 2-isopropylphenol. |
| Q: What is the safety information for 2-isopropylphenol? |
| A: Safety information for 2-isopropylphenol: S26-S36/37/39-S45-S28. |
| Q: What is the InChIKey of 2-isopropylphenol? |
| A: InChIKey of 2-isopropylphenol is CRBJBYGJVIBWIY-UHFFFAOYSA-N. |
| Q: What are the downstream products of 2-isopropylphenol? |
| A: Related downstream products(CAS) of 2-isopropylphenol: 56309-56-9;4074-51-5;99-93-4;14366-59-7;4427-56-9;22791-95-3;22009-41-2;2934-05-6;108-95-2;2078-54-8. |
| Q: What are the upstream materials of 2-isopropylphenol? |
| A: Related upstream materials(CAS) of 2-isopropylphenol: 7073-94-1;89787-12-2;2944-47-0;187737-37-7;108-95-2;2741-16-4;676-58-4;346433-42-9;67-63-0. |
| Q: What is the melting point of 2-isopropylphenol? |
| A: Melting point of 2-isopropylphenol is 12-16 °C(lit.). |
| Q: What is the polar surface area (PSA) of 2-isopropylphenol? |
| A: Polar surface area (PSA) of 2-isopropylphenol is 20.23000. |
| Q: What is the CAS number of 2-isopropylphenol? |
| A: CAS number of 2-isopropylphenol is 88-69-7. |
| Q: What is the SMILES notation of 2-isopropylphenol? |
| A: SMILES notation of 2-isopropylphenol is CC(C)c1ccccc1O. |
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. |