2,4-di-tert-butyl-5-nitrophenyl methyl carbonate
- CAS NO.：873055-55-1
- Empirical Formula: C16H23NO5
- Molecular Weight: 309.36
- MDL number: MFCD11113067
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-02-02 21:54:10
What is 2,4-di-tert-butyl-5-nitrophenyl methyl carbonate?
The Uses of 2,4-di-tert-butyl-5-nitrophenyl methyl carbonate
5-Nitro-2,4-bis(1,1-dimethylethyl)phenyl-carbonic Acid Methyl Ester-d10 is an intermediate used in the synthesis of Ivacaftor (4-tertbutyl-d9) (Major) (I940603), which is isotopically labeled form of Ivacaftor (I940600), that is used in the treatment of cystic fibrosis.
Properties of 2,4-di-tert-butyl-5-nitrophenyl methyl carbonate
| Boiling point: | 384℃ |
| Density | 1.110 |
| Flash point: | 135℃ |
| InChI | InChI=1S/C16H23NO5/c1-15(2,3)10-8-11(16(4,5)6)13(22-14(18)21-7)9-12(10)17(19)20/h8-9H,1-7H3 |
Safety information for 2,4-di-tert-butyl-5-nitrophenyl methyl carbonate
| Signal word | Danger |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Health Hazard GHS08  Environment GHS09 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H361:Reproductive toxicity H372:Specific target organ toxicity, repeated exposure H410:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P201:Obtain special instructions before use. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P312:Call a POISON CENTER or doctor/physician if you feel unwell. P301+P330+P331:IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. |
Computed Descriptors for 2,4-di-tert-butyl-5-nitrophenyl methyl carbonate
| InChIKey | QBDLLAFFRJOLHZ-UHFFFAOYSA-N |
| SMILES | C(OC)(=O)OC1=CC([N+]([O-])=O)=C(C(C)(C)C)C=C1C(C)(C)C |
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