2,4,5-T-isobutyl
2,4,5-T-isobutyl structure
|
Common Name | 2,4,5-T-isobutyl | ||
|---|---|---|---|---|
| CAS Number | 4938-72-1 | Molecular Weight | 311.58900 | |
| Density | 1.322 g/cm3 | Boiling Point | 366.2ºC at 760 mmHg | |
| Molecular Formula | C12H13Cl3O3 | Melting Point | N/A | |
| MSDS | Chinese USA | Flash Point | 139.1ºC | |
| Symbol |
GHS07, GHS09 |
Signal Word | Warning | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2,4,5-T-isobutyl |
|---|---|
| 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 | 1.322 g/cm3 |
|---|---|
| Boiling Point | 366.2ºC at 760 mmHg |
| Molecular Formula | C12H13Cl3O3 |
| Molecular Weight | 311.58900 |
| Flash Point | 139.1ºC |
| Exact Mass | 309.99300 |
| PSA | 35.53000 |
| LogP | 4.22480 |
| Index of Refraction | 1.527 |
| InChIKey | KIIVFWSIMRWBKW-UHFFFAOYSA-N |
| SMILES | CC(C)COC(=O)COc1cc(Cl)c(Cl)cc1Cl |
| Stability | Stable. Hydrolyzes under acidic conditions. Keep cool. |
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, GHS09 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H302-H315-H319-H335-H410 |
| Precautionary Statements | P261-P273-P305 + P351 + P338-P501 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard Codes | Xn,N |
| Risk Phrases | 22-36/37/38-50/53 |
| Safety Phrases | 24-60-61 |
| RIDADR | UN3077 9/PG 3 |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Cytochrome P450 Family 1 Subfamily A Member 2 (CYP1A2) small molecule antagonists: lu...
Source: 824
External Id: CYP273
|
|
Name: Primary Screen Inhibitors of CD40 Signaling in BL2 Cells Measured in Cell-Based Syste...
Source: Broad Institute
Target: N/A
External Id: 7124-01_Inhibitor_SinglePoint_HTS_Activity
|
|
Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id: SIAE_INH_FP_1536_1X%INH PRUN
|
|
Name: p53 small molecule agonists, cell-based qHTS assay: qHTS cell viability counter scree...
Source: 824
Target: N/A
External Id: P53600
|
|
Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: qHTS ce...
Source: 824
Target: N/A
External Id: P53MS958
|
|
Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: Summary
Source: 824
External Id: P53MS482
|
|
Name: p53 small molecule agonists, cell-based qHTS assay with human liver microsomes
Source: 824
Target: tumor suppressor p53 [Homo sapiens]
External Id: P53MS233
|
|
Name: p53 small molecule agonists, cell-based qHTS assay with human liver microsomes: qHTS ...
Source: 824
Target: N/A
External Id: P53MS837
|
|
Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes
Source: 824
Target: tumor suppressor p53 [Homo sapiens]
External Id: P53MS898
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| isobutyl (2,4,5-trichlorophenoxy)acetate |
| 2-methylpropyl (2,4,5-trichlorophenoxy)acetate |
| 2,4,5-T-2-methylpropyl ester |
| Isobutyl 2,4,5-T |
| 2,4,5-t Isobutyl ester |
| Caswell No. 881S |
| EINECS 225-580-4 |
| 2-Methylpropyl (2,4,5-trichlorophenoxy)acetate |
| 2-methylpropyl 2-(2,4,5-trichlorophenoxy)acetate |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What English synonyms does 2,4,5-T-isobutyl have? |
| A: English synonyms of 2,4,5-T-isobutyl: isobutyl (2,4,5-trichlorophenoxy)acetate, 2-methylpropyl (2,4,5-trichlorophenoxy)acetate, 2,4,5-T-2-methylpropyl ester, Isobutyl 2,4,5-T, 2,4,5-t Isobutyl ester, Caswell No. 881S, EINECS 225-580-4, 2-Methylpropyl (2,4,5-trichlorophenoxy)acetate, 2-methylpropyl 2-(2,4,5-trichlorophenoxy)acetate. |
| Q: What is the polar surface area (PSA) of 2,4,5-T-isobutyl? |
| A: Polar surface area (PSA) of 2,4,5-T-isobutyl is 35.53000. |
| Q: What is the English name of 2,4,5-T-isobutyl? |
| A: The English name of 2,4,5-T-isobutyl is 2,4,5-T-isobutyl. |
| Q: What is the molecular formula of 2,4,5-T-isobutyl? |
| A: Molecular formula of 2,4,5-T-isobutyl is C12H13Cl3O3. |
| Q: What is the boiling point of 2,4,5-T-isobutyl? |
| A: Boiling point of 2,4,5-T-isobutyl is 366.2ºC at 760 mmHg. |
| Q: What is the LogP of 2,4,5-T-isobutyl? |
| A: LogP of 2,4,5-T-isobutyl is 4.22480. |
| Q: What is the InChIKey of 2,4,5-T-isobutyl? |
| A: InChIKey of 2,4,5-T-isobutyl is KIIVFWSIMRWBKW-UHFFFAOYSA-N. |
| Q: What is the molecular weight of 2,4,5-T-isobutyl? |
| A: Molecular weight of 2,4,5-T-isobutyl is 311.58900. |
| Q: What is the SMILES notation of 2,4,5-T-isobutyl? |
| A: SMILES notation of 2,4,5-T-isobutyl is CC(C)COC(=O)COc1cc(Cl)c(Cl)cc1Cl. |
| Q: What is the safety information for 2,4,5-T-isobutyl? |
| A: Safety information for 2,4,5-T-isobutyl: 24-60-61. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |