2-NITRO-5-THIOCYANATOBENZOIC ACID
Synonym(s):2-Nitro-5-thiocyanobenzoic acid;NTCB
- CAS NO.：30211-77-9
- Empirical Formula: C8H4N2O4S
- Molecular Weight: 224.19
- MDL number: MFCD00007139
- EINECS: 250-093-9
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-07-18 18:48:51
What is 2-NITRO-5-THIOCYANATOBENZOIC ACID?
Chemical properties
yellow fine crystalline powder
What are the applications of Application
2-Nitro-5-thiocyanatobenzoic acid is a hydratase inhibitor
Properties of 2-NITRO-5-THIOCYANATOBENZOIC ACID
| Melting point: | 156-157 °C(lit.) |
| Boiling point: | 449.0±40.0 °C(Predicted) |
| Density | 1.63 |
| refractive index | 1.5690 (estimate) |
| Flash point: | 225.4℃ |
| storage temp. | Inert atmosphere,2-8°C |
| solubility | DMF: 25 mg/ml; DMSO: 11 mg/ml; Ethanol: 25 mg/ml; PBS (pH 7.2): 0.3 mg/ml |
| pka | 1.75±0.25(Predicted) |
| form | powder |
| color | yellow |
| BRN | 2124001 |
| EPA Substance Registry System | Benzoic acid, 2-nitro-5-thiocyanato- (30211-77-9) |
Safety information for 2-NITRO-5-THIOCYANATOBENZOIC ACID
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 2-NITRO-5-THIOCYANATOBENZOIC ACID
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