tert-Butyl 5-nitroisoindoline-2-carboxylate

Also known as: tert-Butyl 5-nitro-1,3-dihydro-2H-isoindole-2-carboxylate, 5-nitro-1,3-dihydroisoindole-2-carboxylic acid tert-butyl ester, N-Boc-5-nitroisoindoline, N-tert-butyloxycarbonyl-5-nitroisoindoline, 2H-Isoindole-2-carboxylic acid, 1,3-dihydro-5-nitro-, 1,1-dimethylethyl ester, 2-Methyl-2-propanyl 5-nitro-1,3-dihydro-2H-isoindole-2-carboxylate

tert-Butyl 5-nitroisoindoline-2-carboxylate (CAS 400727-63-1) is a compound in the Pharma Intermediates category listed in the Jingsj chemical database. It has the molecular formula C13H16N2O4 and a molecular weight of 264.277 g/mol. Key properties include a boiling point of 381.7±42.0 °C at 760 mmHg, a density of 1.3±0.1 g/cm3 and a flash point of 184.6±27.9 °C. No supplier offers are currently listed; request a quote. Record last updated Aug 21, 2026.

CAS No.: 400727-63-1
Jingsj CID: J-1503194-4
Molecular Formula: C₁₃H₁₆N₂O₄
Molecular Weight: 264.277 g/mol
Category: Pharma Intermediates
Last updated: 8/21/2026

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Physicochemical Properties

Boiling Point	381.7±42.0 °C at 760 mmHg
Density	1.3±0.1 g/cm3
Flash Point	184.6±27.9 °C
Exact Mass	264.110992
PSA	75.36000
LogP	2.17
Vapor Pressure	0.0±0.9 mmHg at 25°C
Refractive Index	1.573

Customs & Trade Information

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%

Frequently Asked Questions

What is the CAS number of tert-Butyl 5-nitroisoindoline-2-carboxylate?

The CAS number of tert-Butyl 5-nitroisoindoline-2-carboxylate is 400727-63-1.

What are the molecular formula and molecular weight of tert-Butyl 5-nitroisoindoline-2-carboxylate?

tert-Butyl 5-nitroisoindoline-2-carboxylate has molecular formula C13H16N2O4 and molecular weight 264.277 g/mol.

What are the upstream and downstream products of tert-Butyl 5-nitroisoindoline-2-carboxylate?

For tert-Butyl 5-nitroisoindoline-2-carboxylate, Upstream Products: 5-Nitroisoindoline, Di-tert-butyl dicarbonate, Isoindoline; Downstream Products: tert-Butyl 5-aminoisoindoline-2-carboxylate.

Data compiled from public chemical databases such as PubChem and supplier catalogs; supplier offers are provided by suppliers.

Last updated: 8/21/2026

How to cite: Jingsj. "tert-Butyl 5-nitroisoindoline-2-carboxylate (CAS 400727-63-1)". Jingsj Chemical Database. https://www.jingsj.com/compound/J-1503194-4 (accessed 2026-11-09).

Data for reference only; verify product details with suppliers before purchase.