3-cyanophenyl isothiocyanate

3-氰基异硫氰酸苯酯

Also known as: 3-cyanophenyl isothiocyanate, 3-isothiocyanatobenzonitrile, benzonitrile, 3-isothiocyanato-, m-cyanophenyl isothiocyanate, MFCD00041070

3-cyanophenyl isothiocyanate (CAS 3125-78-8) is a compound in the Organic Acids category listed in the Jingsj chemical database. It has the molecular formula C8H4N2S and a molecular weight of 160.19600 g/mol. It is also known as 3-isothiocyanatobenzonitrile, benzonitrile, 3-isothiocyanato- and m-cyanophenyl isothiocyanate. Key properties include a melting point of 64-66 °C(lit.), a boiling point of 303.1ºC at 760mmHg, a density of 1.12g/cm3 and a flash point of 137.1ºC. GHS signal word: Danger. No supplier offers are currently listed; request a quote. Record last updated Aug 21, 2026.

CAS No.
3125-78-8
Jingsj CID
J-4870-9
Molecular Formula
C8H4N2S
Chinese Name
3-氰基异硫氰酸苯酯
Molecular Weight
160.19600 g/mol
Category
Organic Acids
Last updated
8/21/2026

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Physicochemical Properties

Melting Point64-66 °C(lit.)
Boiling Point303.1ºC at 760mmHg
Density1.12g/cm3
Flash Point137.1ºC

GHS Safety & Compliance

Corrosion / Irritant / Health HazardSignal word: Danger

Frequently Asked Questions

What is the CAS number of 3-cyanophenyl isothiocyanate?

The CAS number of 3-cyanophenyl isothiocyanate is 3125-78-8.

What are the molecular formula and molecular weight of 3-cyanophenyl isothiocyanate?

3-cyanophenyl isothiocyanate has molecular formula C8H4N2S and molecular weight 160.19600 g/mol.

Is 3-cyanophenyl isothiocyanate hazardous?

3-cyanophenyl isothiocyanate has GHS signal word Danger.

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

Last updated:

How to cite: Jingsj. "3-cyanophenyl isothiocyanate (CAS 3125-78-8)". Jingsj Chemical Database. https://www.jingsj.com/compound/J-4870-9 (accessed 2026-10-23).

Data for reference only; verify specifications, grades and regulatory status with suppliers before purchase.