4-Methoxybenzyl isothiocyanate

Also known as: 1-isothiocyanatomethyl-4-methoxybenzene, p-methoxybenzyl isothiocyanate, 1-(isothiocyanatomethyl)-4-methoxybenzene

4-Methoxybenzyl isothiocyanate (CAS 3694-57-3) is a compound in the Organic Acids category listed in the Jingsj chemical database. It has the molecular formula C9H9NOS and a molecular weight of 179.23900 g/mol. Key properties include a boiling point of 170-175 °C (16 mmHg), a density of 1.0872 g/cm³ and a flash point of 132-133°C/0.7mm. No supplier offers are currently listed; request a quote. Record last updated Aug 21, 2026.

CAS No.: 3694-57-3
Jingsj CID: J-4885-1
Molecular Formula: C₉H₉NOS
Molecular Weight: 179.23900 g/mol
Category: Organic Acids
Last updated: 8/21/2026

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Physicochemical Properties

Boiling Point	170-175 °C (16 mmHg)
Density	1.0872 g/cm³
Flash Point	132-133°C/0.7mm
Exact Mass	179.04000
PSA	53.68000
LogP	2.29800
Refractive Index	1.591-1.598

Customs & Trade Information

HS Code	2930909090
Summary	2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Frequently Asked Questions

What is the CAS number of 4-Methoxybenzyl isothiocyanate?

The CAS number of 4-Methoxybenzyl isothiocyanate is 3694-57-3.

What are the molecular formula and molecular weight of 4-Methoxybenzyl isothiocyanate?

4-Methoxybenzyl isothiocyanate has molecular formula C9H9NOS and molecular weight 179.23900 g/mol.

What are the upstream and downstream products of 4-Methoxybenzyl isothiocyanate?

For 4-Methoxybenzyl isothiocyanate, Upstream Products: 4-Methoxybenzylamine, 1,1'-Thiocarbonyldiimidazole, Carbon disulphide; Downstream Products: 1-(4-Methoxybenzyl)-2-thiourea, 4-Methoxybenzyl alcohol, 4-(4-Methoxybenzyl)-3-thiosemicarbazide.

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. "4-Methoxybenzyl isothiocyanate (CAS 3694-57-3)". Jingsj Chemical Database. https://www.jingsj.com/compound/J-4885-1 (accessed 2026-11-09).

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