Basic information
- CAS
913836-24-5- Standard SMILES
CC(C)(C)OC(=O)n1ccc2c([N+](=O)[O-])cccc21- InChIKey
UKMLUDGMHPZXGN-UHFFFAOYSA-N- Molecular formula
- C13H14N2O4
- Average molar mass
- 262.26 g/mol
- Monoisotopic mass
- 262.09535693
Names & identifiers
- Preferred name
- tert-butyl 4-nitro-1H-indole-1-carboxylate
- IUPAC
- tert-butyl 4-nitroindole-1-carboxylate
- English name
- 1-BOC-4-NITROINDOLE
- Molecular formula
- C13H14N2O4
- Molecular weight
- 262.26
Names & synonyms
1-Boc-4-nitroindole913836-24-5tert-butyl 4-nitro-1H-indole-1-carboxylatetert-butyl 4-nitroindole-1-carboxylateMFCD08689543tert-butyl4-nitro-1H-indole-1-carboxylate4-Nitroindole, N-BOC protected4-nitro-indole-1-carboxylic acid tert-butyl esterSCHEMBL3240302SCHEMBL30123312DTXSID30649567UKMLUDGMHPZXGN-UHFFFAOYSA-N
Show more names
N-BOC-4-NITROINDOLE4-Nitroindole,N-BOCprotected97%4-Nitroindole, N-BOC protected 97%4-nitro-1-indolecarboxylic acid tert-butyl ester1H-Indole-1-carboxylic acid, 4-nitro-, 1,1-dimethylethyl ester
tert-butyl 4-nitroindolecarboxylateSBB066694AKOS015836987DS-16909SY007203CS-0154785F317998
Database identifiers
- CAS
913836-24-5- PubChem CID
- 25307166
- DTXSID
DTXSID30649567
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 77.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 372
Physicochemical properties
- Melting point
- 91 · 91-94
- Boiling point
- 395.3 · 395.3±34.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- Appearance
- Light yellow to yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H317
- Precautionary statements
- 280 · P280
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2933998090 · 2933998090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H302-H317
- Precautionary statements
- P280
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers41 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
苏州奥佰医药科技有限公司1483287082 19962651230 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Aladdin Scientific[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
宝鸡缔都医药化工有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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