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. It is classified under GHS with signal word Danger and hazard statements H302 — Harmful if swallowed, H312 — Harmful in contact with skin and H314 — Causes severe skin burns and eye damage. 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
No offers for this compound yet.
Request a quotePhysicochemical Properties
| Melting Point | 64-66 °C(lit.) |
|---|---|
| Boiling Point | 303.1ºC at 760mmHg |
| Density | 1.12g/cm3 |
| Flash Point | 137.1ºC |
| Exact Mass | 160.01000 |
| PSA | 68.24000 |
| LogP | 2.29258 |
| Refractive Index | 1.604 |
GHS Safety & Compliance
- H302 — Harmful if swallowed
- H312 — Harmful in contact with skin
- H314 — Causes severe skin burns and eye damage
- H317 — May cause an allergic skin reaction
- H332 — Harmful if inhaled
- H334 — May cause allergy or asthma symptoms if inhaled
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 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 and hazard statements H302 — Harmful if swallowed; H312 — Harmful in contact with skin; H314 — Causes severe skin burns and eye damage.
What are the upstream and downstream products of 3-cyanophenyl isothiocyanate?
For 3-cyanophenyl isothiocyanate, Downstream Products: 3-Aminobenzonitrile.
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 2026-10-28).
Data for reference only; verify specifications, grades and regulatory status with suppliers before purchase.