CAS 1204-06-4|3-Indoleacrylic acid
Introduction：Basic information about CAS 1204-06-4|3-Indoleacrylic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-Indoleacrylic acid | ||
|---|---|---|---|
| CAS Number | 1204-06-4 | Molecular Weight | 187.195 |
| Density | 1.4±0.1 g/cm3 | Boiling Point | 432.8±20.0 °C at 760 mmHg |
| Molecular Formula | C11H9NO2 | Melting Point | 180-186ºC |
| MSDS | USA | Flash Point | 215.6±21.8 °C |
| Symbol | GHS07 | Signal Word | Warning |
Names
| Name | 3-Indoleacrylic acid |
|---|---|
| Synonym | More Synonyms |
3-Indoleacrylic acid BiologicalActivity
| Description | 3-Indoleacrylic acid is a high-efficient antialgal agent. 3-Indoleacrylic acid increases reactive oxygen species (ROS) production, and inhibits the functions of all the nutrient assimilating genes, down-regulated ribulose-1,5-bisphosphate carboxylase/oxygenase II, and cytochrome f genes in P. donghaiense[1]. |
|---|---|
| Related Catalog | Research Areas >>Others |
| References | [1]. Kokoette Effiong, et al. 3-Indoleacrylic acid from canola straw as a promising antialgal agent - Inhibition effect and mechanism on bloom-forming Prorocentrum donghaiense. Mar Pollut Bull. 2022 May:178:113657. |
Chemical & Physical Properties
| Density | 1.4±0.1 g/cm3 |
|---|---|
| Boiling Point | 432.8±20.0 °C at 760 mmHg |
| Melting Point | 180-186ºC |
| Molecular Formula | C11H9NO2 |
| Molecular Weight | 187.195 |
| Flash Point | 215.6±21.8 °C |
| Exact Mass | 187.063324 |
| PSA | 53.09000 |
| LogP | 2.34 |
| Vapour Pressure | 0.0±1.1 mmHg at 25°C |
| Index of Refraction | 1.750 |
| InChIKey | PLVPPLCLBIEYEA-UHFFFAOYSA-N |
| SMILES | O=C(O)C=Cc1c[nH]c2ccccc12 |
| Storage condition | 0-6°C |
| Water Solubility | freely soluble |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1600 mg/kg/8W-I
- TOXIC EFFECTS :
- Tumorigenic - Carcinogenic by RTECS criteria Kidney, Ureter, Bladder - tumors
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- 1100 mg/kg/13W-I
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria Gastrointestinal - tumors Blood - leukemia
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - hamster
- DOSE/DURATION :
- 1600 mg/kg/10W-I
- TOXIC EFFECTS :
- Tumorigenic - neoplastic by RTECS criteria Endocrine - adrenal cortex tumors Blood - tumors
MUTATION DATA - TEST SYSTEM :
- Primate - monkey
- DOSE/DURATION :
- 15 mg/kg/2D (Intermittent)
- REFERENCE :
- TSITAQ Tsitologiya. Cytology. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1959- Volume(issue)/page/year: 15,1505,1973
- TEST SYSTEM :
- Primate - monkey
- DOSE/DURATION :
- 15 mg/kg/2D (Intermittent)
- REFERENCE :
- TSITAQ Tsitologiya. Cytology. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1959- Volume(issue)/page/year: 15,1505,1973
Safety Information
| Symbol | GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H315-H319-H335 |
| Precautionary Statements | P261-P305 + P351 + P338 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard Codes | Xi:Irritant; |
| Risk Phrases | R36/37/38 |
| Safety Phrases | S26-S37/39 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| RTECS | NL3680000 |
| HS Code | 2933990090 |
Customs
| HS Code | 2933990090 |
|---|---|
| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
Articles28
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| Structural insight into the inhibition of human kynurenine aminotransferase I/glutamine transaminase K. J. Med. Chem. 52 , 2786-93, (2009) Human kynurenine aminotransferase I (hKAT I) catalyzes the formation of kynurenic acid, a neuroactive compound. Here, we report three high-resolution crystal structures (1.50-1.55 A) of hKAT I that ar... | |
| NMR studies of the mode of binding of corepressors and inducers to Escherichia coli trp repressor. Eur. J. Biochem. 235(3) , 804-13, (1996) The binding of the corepressors tryptophan and 5-methyltryptophan and of the inducers 3-indolepropionate, 3-indoleacrylate and 5-methylindole to the Escherichia coli trp repressor have been studied by... |
Synonyms
| 3-(3-Indolyl)acrylic acid,IAA |
| 2-Propenoic acid, 3-(1H-indol-2-yl)-, (2E)- |
| 3-(3-Indolyl)acrylic acid IAA |
| (2E)-3-(1H-Indol-2-yl)acrylic acid |
| 2-Propenoic acid,3-(1H-indol-3-yl)- |
| 3-Indolylacrylic acid |
| 3-Indoleacrylic Acid |
| 3-(3-Indolyl)acrylic Acid |
| EINECS 214-872-7 |
| MFCD00005633 |
| (E)-3-(indol-2-yl)acrylic acid |
| 3-(1H-Indol-3-yl)acrylic acid |
