4-tert-Butylphenyl isothiocyanate

Modify Date: 2025-08-26 00:54:53

4-tert-Butylphenyl isothiocyanate Structure
4-tert-Butylphenyl isothiocyanate structure
Common Name 4-tert-Butylphenyl isothiocyanate
CAS Number 19241-24-8 Molecular Weight 191.29300
Density 0.96 g/cm3 Boiling Point 92 °C
Molecular Formula C11H13NS Melting Point 42 °C
MSDS USA Flash Point 122.8ºC

 Names

Name 4-tert-Butylphenyl isothiocyanate
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.96 g/cm3
Boiling Point 92 °C
Melting Point 42 °C
Molecular Formula C11H13NS
Molecular Weight 191.29300
Flash Point 122.8ºC
Exact Mass 191.07700
PSA 44.45000
LogP 3.71840
Vapour Pressure 0.0084mmHg at 25°C
Index of Refraction 1.531
Storage condition Keep Cold

 MSDS

Name: 4-(tert-Butyl)phenyl isothiocyanate Material Safety Data Sheet
Synonym:
CAS: 19241-24-8
Section 1 - Chemical Product MSDS Name:4-(tert-Butyl)phenyl isothiocyanate Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
19241-24-8 4-(tert-Butyl)phenyl isothiocyanate unlisted
Hazard Symbols: XN
Risk Phrases: 20/21/22 36/37/38

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.
Irritating to eyes, respiratory system and skin.Moisture sensitive.
Potential Health Effects
Eye:
Causes eye irritation. Lachrymator (substance which increases the flow of tears).
Skin:
Causes skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. Causes respiratory tract irritation.
Chronic:
Not available.

Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:

Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media:
Use foam, dry chemical, or carbon dioxide.

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.

Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Store under an inert atmosphere.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 19241-24-8: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: colorless
Odor: pungent odor
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 92 - 94 deg C @0.5mmHg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C11H13NS
Molecular Weight: 191.3

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials, exposure to moist air or water.
Incompatibilities with Other Materials:
Bases, oxidizing agents, reducing agents, amines, acids.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 19241-24-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-(tert-Butyl)phenyl isothiocyanate - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION


Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION

IATA
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
IMO
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
RID/ADR
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing group: III

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
WGK (Water Danger/Protection)
CAS# 19241-24-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 19241-24-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 19241-24-8 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

Hazard Codes T: Toxic;
Risk Phrases R20/21/22
Safety Phrases S26-S36/37/39
RIDADR 2811
Hazard Class 6.1
HS Code 2930909090

 Synthetic Route

~60%

4-tert-Butylphenyl isothiocyanate Structure

4-tert-Butylphe...

CAS#:19241-24-8

Literature: Digital Biotech Co., Ltd. Patent: WO2004/35533 A1, 2004 ; Location in patent: Page 38 ; WO 2004/035533 A1

~%

4-tert-Butylphenyl isothiocyanate Structure

4-tert-Butylphe...

CAS#:19241-24-8

Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 22, # 17 p. 5392 - 5395

~%

4-tert-Butylphenyl isothiocyanate Structure

4-tert-Butylphe...

CAS#:19241-24-8

Literature: Chemische Berichte, , vol. 17, p. 1233

~%

4-tert-Butylphenyl isothiocyanate Structure

4-tert-Butylphe...

CAS#:19241-24-8

Literature: Chemische Berichte, , vol. 17, p. 1233

~%

4-tert-Butylphenyl isothiocyanate Structure

4-tert-Butylphe...

CAS#:19241-24-8

Literature: Chemische Berichte, , vol. 16, p. 2017

~%

4-tert-Butylphenyl isothiocyanate Structure

4-tert-Butylphe...

CAS#:19241-24-8

Literature: Chemische Berichte, , vol. 17, p. 1233

~%

4-tert-Butylphenyl isothiocyanate Structure

4-tert-Butylphe...

CAS#:19241-24-8

Detail
Literature: Chemische Berichte, , vol. 16, p. 2017

 Customs

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%

 Synonyms

1-tert-butyl-4-isothiocyanatobenzene
4-(tert-Butyl)phenyl isothiocyanate
MFCD00022059
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