English Safety Data Sheet Database 中文版 MSDS

Phenyl Isothiocyanate

CAS No. 103-72-0 | PubChem CID 7673
Section 1. Identification
Chemical NamePhenyl Isothiocyanate CAS No.103-72-0
Synonymsphenylmustardoil; phenylisothiocyanate Chinese Name异硫氰酸苯酯
Molecular FormulaC7H5NS Molecular Weight135.19
UN No.2927 Data SourcePubChem (NIH/NLM)
GHS Hazard Classification
Signal Word DANGER
Pictograms GHS05 · Corrosive GHS06 · Acute Toxic GHS07 · Irritant GHS08 · Health Hazard GHS09 · Environmental Hazard
Hazard Statements H301H314H317H318H334H341H361H400H410
Precautionary Statements P203P233P260P261P264P264+P265P270P271P272P273P280P284P301+P316P301+P330+P331P302+P352P302+P361+P354P304+P340P305+P354+P338P316P317P318P321P330P333+P317P342+P316P362+P364P363P391P403P405P501

Section 2. Hazards Identification

This chemical does not meet GHS hazard criteria for 0.5% (1 of 214) of reports.

H301 (82.2%): Toxic if swallowed [Danger Acute toxicity, oral]

H314 (79.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

H317 (79%): May cause an allergic skin reaction [Warning Sensitization, Skin]

H318 (54.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

H334 (76.2%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]

H341 (54.2%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]

H361 (54.2%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]

H400 (21.5%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

H410 (24.3%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P203, P233, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P321, P330, P333+P317, P342+P316, P362+P364, P363, P391, P403, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 214 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Reported as not meeting GHS hazard criteria per 1 of 214 reports by companies.

There are 10 notifications provided by 213 of 214 reports by companies with hazard statement code(s).

Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Section 9. Physical and Chemical Properties

Liquid; [Merck Index] Colorless liquid; [Sigma-Aldrich MSDS]

1.5 [mmHg]

15N nuclear magnetic resonance spectrum

Coriolis coupling

Schoenflies notation

Boiling point

Centrifugal distortion

Chemical bond

Chemical shift

Diamagnetic susceptibility

Equilibrium structure

Heat of sublimation

Internuclear distance

Magnetic susceptibility

Molecular structure

Nuclear quadrupole coupling

Optical coefficient

Point group

Quadrupole coupling

Refractive index

Rotation-vibration spectrum

Rotational excitation cross section

Spin-spin coupling constant

Surface tension

Vapor pressure

Vapor-liquid equilibrium

Vibrational mode frequency

Viscosity

Nitrogen Compounds -> Isothiocyanates

Section 11. Toxicological Information

Cyanide is an inhibitor of cytochrome c oxidase in the fourth complex of the electron transport chain (found in the membrane of the mitochondria of eukaryotic cells). It complexes with the ferric iron atom in this enzyme. The binding of cyanide to this cytochrome prevents transport of electrons from cytochrome c oxidase to oxygen. As a result, the electron transport chain is disrupted and the cell can no longer aerobically produce ATP for energy. Tissues that mainly depend on aerobic respiration, such as the central nervous system and the heart, are particularly affected. Cyanide is also known produce some of its toxic effects by binding to catalase, glutathione peroxidase, methemoglobin, hydroxocobalamin, phosphatase, tyrosinase, ascorbic acid oxidase, xanthine oxidase, succinic dehydrogenase, and Cu/Zn superoxide dismutase. Cyanide binds to the ferric ion of methemoglobin to form inactive cyanmethemoglobin. (L97)

No indication of carcinogenicity to humans (not listed by IARC).

Exposure to high levels of cyanide for a short time harms the brain and heart and can even cause coma, seizures, apnea, cardiac arrest and death. Chronic inhalation of cyanide causes breathing difficulties, chest pain, vomiting, blood changes, headaches, and enlargement of the thyroid gland. Skin contact with cyanide salts can irritate and produce sores. (L96, L97)

Inhalation (L96) ; oral (L96) ; dermal (L96)

Cyanide poisoning is identified by rapid, deep breathing and shortness of breath, general weakness, giddiness, headaches, vertigo, confusion, convulsions/seizures and eventually loss of consciousness. (L96, L97)

Dermatotoxin - Skin burns.

Lacrimator (Lachrymator) - A substance that irritates the eyes and induces the flow of tears.

Skin Sensitizer - An agent that can induce an allergic reaction in the skin.

Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors.

Phenyl Isothiocyanate

2 x 10^-3 mg/kg-day

PDF Document

Inadequate information to assess carcinogenic potential

SCREEN Current

PPRTV Current

LD50: 87 mg/kg (Oral, Mouse) (L565)

LD50: 250 mg/kg (Subcutaneous, Mouse) (L565)

LD50: 100 mg/kg (Intraperitoneal, Mouse) (L565)

EYES: irrigate opened eyes for several minutes under running water.

INGESTION: do not induce vomiting. Rinse mouth with water (never give anything by mouth to an unconscious person). Seek immediate medical advice.

SKIN: should be treated immediately by rinsing the affected parts in cold running water for at least 15 minutes, followed by thorough washing with soap and water. If necessary, the person should shower and change contaminated clothing and shoes, and then must seek medical attention.

INHALATION: supply fresh air. If required provide artificial respiration.

1.60e+01

2.30e+02

2.60e+00

1.5E+01(G)

1.70e-03

2.00e-04

Volatile

1.29e+02

4.70e+01

7.00e+02

7.90e+00

1.5E+01 (G)

Section 12. Ecological Information

1.60e+01

2.30e+02

2.60e+00

1.5E+01(G)

1.70e-03

2.00e-04

Volatile

1.29e+02

4.70e+01

7.00e+02

7.90e+00

1.5E+01 (G)

Source: PubChem CID 7673 (NIH/NLM, public domain). Retrieved from PubChem, a public-domain chemistry database maintained by the U.S. National Library of Medicine. Last updated: 2026-08-02 09:31:05.
Disclaimer: This information is compiled for reference only and does not replace the manufacturer's official Safety Data Sheet. Always consult the supplier's SDS before handling any chemical.