Molekula
Phenyl isothiocyanate
Supplying 4,500+ customers in over 80 countries
ISO 9001:2015 & ISO 14001:2015 certified · Supplying laboratories and industry since 2000 · Listed pack sizes are a starting point — we manufacture, source and repack to the quantity you need
Phenyl isothiocyanate is a reactive organic compound widely used as a derivatizing agent in amino acid analysis, peptide sequencing, and pharmaceutical synthesis. It forms stable thiourea derivatives with amines, aiding in structural identification. This clear to pale yellow liquid has a CAS number of 103-72-0, molecular formula C6H5NCS, and a molecular weight of 135.19 g/mol. Store at ambient conditions, but handle with caution—it carries a **Danger** signal word due to its irritant and sensitizing properties. Molekula supplies Phenyl isothiocyanate from research to bulk quantities with full documentation and ISO 9001:2015 traceability.
Example image for illustration only. Other packaging and pack sizes are available.
Pricing & pack sizes
Pack sizes & pricing
Pricing on request — packs available from research to bulk quantities.
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Tell us how much you need and when — drums, IBCs, sacks or a one-off bulk lot. We'll manufacture or source it and come back with a price.
Prices exclude VAT/sales tax and shipping.
Specifications
| Property | Value |
|---|---|
| Appearance | Colourless liquid |
| Purity (GC) | ≥98.5% |
| Identification (IR) | Conforms to structure |
| Colour Test | ≤50 APHA |
Storage & handling
| Property | Value |
|---|---|
| Storage Temperature | Ambient |
| Flash Point | 87 °C |
| Transport Class | 6.1 (8) |
| Packing Group | II |
| Acidity | Neutral |
Literature values
Published physical properties of the substance, not batch specifications.
| Property | Value |
|---|---|
| Vapour Pressure | 1.5 mmHg |
Source: PubChem CID 7673 (Haz-Map)
Identification
| Property | Value |
|---|---|
| SKU | 90032583 |
| CAS Number | 103-72-0 |
| IUPAC Name | isothiocyanatobenzene |
| EC Number | 203-138-1 |
| Molecular Formula | C6H5NCS |
| Molecular Weight | 135.19 |
| Exact Mass | 135.0143 |
| SMILES | C1=CC=C(C=C1)N=C=S |
| InChIKey | QKFJKGMPGYROCL-UHFFFAOYSA-N |
| InChI | InChI=1S/C7H5NS/c9-6-8-7-4-2-1-3-5-7/h1-5H |
| PubChem CID | 7673 |
| UN Number | UN2927 |
| REACH Code | Y110 |
| TSCA Listed | Yes |
| HTS Code | 29309029 |
| Tariff Code | 2930909899 |
Safety & GHS
-
Corrosive
GHS05
-
Toxic
GHS06
-
Health Hazard
GHS07
-
Serious Health Hazard
GHS08
-
Hazardous to the Environment
GHS09
Hazard statements
- H301 Toxic if swallowed
- H314 (sub cat. 1B) Causes severe skin burns and eye damage
- H317 May cause an allergic skin reaction
- H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled
- H400 Very toxic to aquatic life
- H410 Very toxic to aquatic life with long lasting effects
Precautionary statements
- P260 Do not breathe dust/fume/gas/mist/vapours/spray
- P273 Avoid release to the environment
- P280 Wear protective gloves/protective clothing/eye protection/face protection
- P301+310 IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician
- P302+350 IF ON SKIN: Gently wash with soap and water
Documents
Safety Data Sheets (SDS)
Available in English, French, German, Italian, Spanish.
Certificate of Analysis (CoA) by batch
Enter a lot or batch number to retrieve the CoA for that specific batch. We can generate one from spec data if no PDF is on file.
Synonyms
- Benzene-1-isothiocyanate
- Benzene, isothiocyanato-
- Fenylisothiokyanat
- Isothiocyanatobenzene
- Isothiocyanic acid phenyl ester
- Phenyl thioisocyanate
- Phenylisothiocyanate 1533
- Phenylsenfoel
- PITC
- Thiocarbanil
Frequently asked questions
What is phenyl isothiocyanate commonly used for?
Phenyl isothiocyanate is primarily used in organic synthesis, including the preparation of thioureas, peptides, and as a reagent in Edman degradation for protein sequencing.
What is the chemical formula and molecular weight of phenyl isothiocyanate?
The chemical formula is **C₆H₅NCS**, and the molecular weight is **135.19 g/mol**.
How should phenyl isothiocyanate be stored?
Store at **ambient temperature** in a tightly sealed container, away from moisture and incompatible materials.
What purity grades of phenyl isothiocyanate does Molekula offer?
Molekula supplies phenyl isothiocyanate in **reagent-grade purity**, typically ≥98% by HPLC or GC.
Can Molekula supply phenyl isothiocyanate in bulk quantities?
Yes, we offer bulk packaging options—please contact us for minimum order quantities and pricing.
What documentation is provided with an order of phenyl isothiocyanate?
Each order includes a **Certificate of Analysis (CoA)**, Safety Data Sheet (SDS), and a product specification sheet.
Ready to order or need a custom pack?
Tell us the product, grade, and quantity — Molekula usually responds within one working day with pricing and lead time.