3-chloro-4-fluorophenyl isothiocyanate

Modify Date: 2024-01-05 09:40:09

3-chloro-4-fluorophenyl isothiocyanate Structure
3-chloro-4-fluorophenyl isothiocyanate structure
Common Name 3-chloro-4-fluorophenyl isothiocyanate
CAS Number 137724-66-4 Molecular Weight 187.62200
Density 1.31g/cm3 Boiling Point 115-117 °C (11 mmHg)
Molecular Formula C7H3ClFNS Melting Point N/A
MSDS N/A Flash Point 130-132°C/15mm

 Names

Name 2-chloro-1-fluoro-4-isothiocyanatobenzene
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.31g/cm3
Boiling Point 115-117 °C (11 mmHg)
Molecular Formula C7H3ClFNS
Molecular Weight 187.62200
Flash Point 130-132°C/15mm
Exact Mass 186.96600
PSA 44.45000
LogP 3.21340

 MSDS

Name: 3-Chloro-4-fluorophenylisothiocyanate Material Safety Data Sheet
Synonym:
CAS: 137724-66-4
Section 1 - Chemical Product MSDS Name:3-Chloro-4-fluorophenylisothiocyanate Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
137724-66-4 3-Chloro-4-fluorophenylisothiocyanate 100 unlisted
Hazard Symbols: T
Risk Phrases: 23/24/25

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Toxic by inhalation, in contact with skin and if swallowed.
Potential Health Effects
Eye:
May cause eye irritation. Lachrymator (substance which increases the flow of tears).
Skin:
May cause skin irritation. Toxic in contact with skin.
Ingestion:
May cause irritation of the digestive tract. Poison by ingestion.
Inhalation:
May cause respiratory tract irritation. Toxic if inhaled.
Chronic:
Not available.

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

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container.

Section 7 - HANDLING and STORAGE
Handling:
Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 137724-66-4: 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: Liquid
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 115 - 117 deg C @ 11 mmHg
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: C7H3ClFNS
Molecular Weight: 187.62

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Excess heat.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong bases, acids, water, alcohols, amines.
Hazardous Decomposition Products:
Hydrogen chloride, hydrogen cyanide, sulfur dioxide, carbon monoxide, oxides of nitrogen, carbon dioxide, hydrogen fluoride gas, sulfuric acid, nitric acid.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 137724-66-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3-Chloro-4-fluorophenylisothiocyanate - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION
Other No information available.

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

Section 14 - TRANSPORT INFORMATION

IATA
Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2810
Packing Group: II
IMO
Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2810
Packing Group: II
RID/ADR
Not regulated as a hazardous material.

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: T
Risk Phrases:
R 23/24/25 Toxic by inhalation, in contact with skin
and if swallowed.
Safety Phrases:
S 28A After contact with skin, wash immediately with
plenty of water.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 137724-66-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 137724-66-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 137724-66-4 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,C
Risk Phrases R23/24/25
Safety Phrases S45-S36/37/39-S28A
RIDADR 2810
Packaging Group III
Hazard Class 6.1
HS Code 2930909090

 Synthetic Route

~73%

3-chloro-4-fluorophenyl isothiocyanate Structure

3-chloro-4-fluo...

CAS#:137724-66-4

Literature: Khatik, Gopal L.; Kaur, Jasmine; Kumar, Varun; Tikoo, Kulbhushan; Venugopalan; Nair, Vipin A. European Journal of Medicinal Chemistry, 2011 , vol. 46, # 8 p. 3291 - 3301

~%

3-chloro-4-fluorophenyl isothiocyanate Structure

3-chloro-4-fluo...

CAS#:137724-66-4

Literature: Collection of Czechoslovak Chemical Communications, , vol. 57, # 3 p. 656 - 659

~%

3-chloro-4-fluorophenyl isothiocyanate Structure

3-chloro-4-fluo...

CAS#:137724-66-4

Literature: Journal of Agricultural and Food Chemistry, , vol. 49, # 11 p. 5279 - 5284

 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

3-Chloro-4-fluorophenyl isothiocyanate
3-chloro-4-fluorobenzenisothiocyanate
MFCD00060700
2-chloro-1-fluoro-4-isothiocyanato-benzene