Products Categories
| CAS No.: | 2058-74-4 |
|---|---|
| Name: | N-METHYLISATIN |
| Article Data: | 227 |
| Molecular Structure: | |
|
|
|
| Formula: | C9H7NO2 |
| Molecular Weight: | 161.16 |
| Synonyms: | Indole-2,3-dione,1-methyl- (7CI,8CI);Isatin, 1-methyl- (6CI);1-Methyl-1H-indole-2,3-dione;1-Methyl-2,3-indolinedione;1-Methylindole-2,3-dione;1-Methylisatin;N-Methylindoline-2,3-dione;N-Methylisatin;NSC 42449;OL 57; |
| EINECS: | 218-164-9 |
| Density: | 1.314 g/cm3 |
| Melting Point: | 130-133 °C(lit.) |
| Boiling Point: | 294.3 °C at 760 mmHg |
| Flash Point: | 137.4 °C |
| Solubility: | Insoluble in water. |
| Appearance: | orange to brownish crystalline powder |
| Hazard Symbols: |
 T
|
| Risk Codes: | 25-37/38-41 |
| Safety: | 26-39-45 |
| Transport Information: | UN 2811 6.1/PG 3 |
| PSA: | 37.38000 |
| LogP: | 0.91070 |
- 483366-12-7(2S,4R)-1-Boc-2-cyano-4-hydroxypyrrolidine
- 361456-36-2METHYL (R)-(+)-ISOCYANATO-3-PHENYLPROPI&
- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
- 81281-59-67-Benzylideneaminotheophylline
- 50288-62-5threo-Phenyl-2-piperidyl acetamide
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 47087-37-6Z-D-Glu-OMe
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 211914-50-0N-[[2-[[[4-(Aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-(2-pyridinyl)-beta-alanine ethyl ester hydrochloride
- 240444-70-62,3,5,6-Tetrafluor-4-(methoxymethyl)benzyl-2,2-dimethyl-3-(prop-1-en-1-yl)cyclopropancarboxylat
- Total:37 Page 1 of 1 1
What can I do for you?
Get Best Price
Specification
The CAS register number of 1-methyl-1H-indole-2,3-dione is 2058-74-4. It also can be called as N-Methylisatin and the IUPAC name about this chemical is 1-methylindole-2,3-dione. The molecular formula about this chemical is C9H7NO2 and the molecular weight is 161.16. It belongs to the following product categories which include Pharmacetical; Building Blocks; Heterocyclic Building Blocks; Indoles and so on.
Physical properties about 1-methyl-1H-indole-2,3-dione are: (1)ACD/LogP: 0.58; (2)ACD/LogD (pH 5.5): 0.58; (3)ACD/LogD (pH 7.4): 0.58; (4)ACD/BCF (pH 5.5): 1.62; (5)ACD/BCF (pH 7.4): 1.62; (6)ACD/KOC (pH 5.5): 49.26; (7)ACD/KOC (pH 7.4): 49.26; (8)#H bond acceptors: 3; (9)Polar Surface Area: 37.38Å2; (10)Index of Refraction: 1.607; (11)Molar Refractivity: 42.35 cm3; (12)Molar Volume: 122.5 cm3; (13)Polarizability: 16.78x10-24cm3; (14)Surface Tension: 52 dyne/cm; (15)Flash Point: 137.4 °C; (16)Enthalpy of Vaporization: 53.39 kJ/mol; (17)Boiling Point: 294.3 °C at 760 mmHg; (18)Vapour Pressure: 0.00164 mmHg at 25°C.
Uses of 1-methyl-1H-indole-2,3-dione: it can be used to produce 3-hydroxy-1-methyl-3-phenacyl-indolin-2-one with 1-phenyl-ethanone. This reaction will need reagent ethanol and diethylamine.
.jpg)
When you are using this chemical, please be cautious about it as the following:
This chemical is toxic if swallowed. It is irritating to respiratory system and skin. It has risk of serious damage to the eyes. When you are using it, wear eye / face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
You can still convert the following datas into molecular structure:
(1)SMILES: O=C2c1ccccc1N(C2=O)C
(2)InChI: InChI=1/C9H7NO2/c1-10-7-5-3-2-4-6(7)8(11)9(10)12/h2-5H,1H3
(3)InChIKey: VCYBVWFTGAZHGH-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C9H7NO2/c1-10-7-5-3-2-4-6(7)8(11)9(10)12/h2-5H,1H3
(5)Std. InChIKey: VCYBVWFTGAZHGH-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 685mg/kg (685mg/kg) | LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION | Pharmaceutical Chemistry Journal Vol. 15, Pg. 858, 1981. |