4-n-hexylbenzoyl chloride

Modify Date: 2024-01-10 18:03:32

4-n-hexylbenzoyl chloride Structure
4-n-hexylbenzoyl chloride structure
Common Name 4-n-hexylbenzoyl chloride
CAS Number 50606-95-6 Molecular Weight 224.72600
Density 1.029 g/mL at 25 °C(lit.) Boiling Point 176-177°C 22mm
Molecular Formula C13H17ClO Melting Point N/A
MSDS Chinese USA Flash Point >230 °F
Symbol GHS05
GHS05
Signal Word Danger

 Names

Name 4-n-hexylbenzoyl chloride
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.029 g/mL at 25 °C(lit.)
Boiling Point 176-177°C 22mm
Molecular Formula C13H17ClO
Molecular Weight 224.72600
Flash Point >230 °F
Exact Mass 224.09700
PSA 17.07000
LogP 4.18840
Index of Refraction n20/D 1.5256(lit.)

 MSDS

Name: 4-Hexylbenzoyl chloride 99% Material Safety Data Sheet
Synonym: Benzoyl chloride, 4-hexyl
CAS: 50606-95-6
Section 1 - Chemical Product MSDS Name:4-Hexylbenzoyl chloride 99% Material Safety Data Sheet
Synonym:Benzoyl chloride, 4-hexyl

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
50606-95-6 Benzoyl chloride, 4-hexyl- 99 256-647-6
Hazard Symbols: C
Risk Phrases: 34

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Causes burns.Moisture sensitive.Corrosive.
Potential Health Effects
Eye:
Causes eye burns. May cause chemical conjunctivitis and corneal damage.
Skin:
Causes skin burns. May cause skin rash (in milder cases), and cold and clammy skin with cyanosis or pale color.
Ingestion:
May cause severe and permanent damage to the digestive tract. Causes gastrointestinal tract burns. May cause perforation of the digestive tract. May cause systemic effects.
Inhalation:
May cause severe irritation of the respiratory tract with sore throat, coughing, shortness of breath and delayed lung edema. Causes chemical burns to the respiratory tract. Aspiration may lead to pulmonary edema. May cause systemic effects.
Chronic:
Effects may be delayed.

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 immediately. Do NOT allow victim to rub eyes or keep eyes closed.
Extensive irrigation with water is required (at least 30 minutes).
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Destroy contaminated shoes.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid immediately. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If breathing is difficult, give oxygen. Do not use mouth-to-mouth resuscitation if victim ingested or inhaled the substance; induce artificial respiration with the aid of a pocket mask equipped with a one-way valve or other proper respiratory medical device.
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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Water hydrolyzes material liberating acidic gas which in contact with metal surfaces can generate flammable and/or explosive hydrogen gas.
Extinguishing Media:
DO NOT USE WATER! Do NOT get water inside containers. In case of fire, use carbon dioxide, dry chemical powder or appropriate 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. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation. Do not get water inside containers.

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Do not get in eyes, on skin, or on clothing. Do not ingest or inhale. Do not allow contact with water. Use only in a chemical fume hood. Discard contaminated shoes. Keep from contact with moist air and steam.
Storage:
Store in a tightly closed container. Store protected from moisture.
Store in a cool, dry area away from incompatible substances.

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# 50606-95-6: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Liquid
Color: clear yellow
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not applicable.
Flash Point: > 112 deg C (> 233.60 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water: Hydrolysis.
Specific Gravity/Density: 1.0290g/cm3
Molecular Formula: C13H17ClO
Molecular Weight: 224.73

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures. May decompose on exposure to moist air or water.
Conditions to Avoid:
Incompatible materials, moisture, contact with water.
Incompatibilities with Other Materials:
Moisture, water, alcohols, oxidizing agents, strong bases.
Hazardous Decomposition Products:
Hydrogen chloride, phosgene, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 50606-95-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Benzoyl chloride, 4-hexyl- - 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: CORROSIVE LIQUID, N.O.S.*
Hazard Class: 8
UN Number: 1760
Packing Group: II
IMO
Shipping Name: CORROSIVE LIQUID, N.O.S.
Hazard Class: 8
UN Number: 1760
Packing Group: II
RID/ADR
Shipping Name: CORROSIVE LIQUID, N.O.S.
Hazard Class: 8
UN Number: 1760
Packing group: II

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 34 Causes burns.
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
WGK (Water Danger/Protection)
CAS# 50606-95-6: No information available.
Canada
CAS# 50606-95-6 is listed on Canada's NDSL List.
CAS# 50606-95-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 50606-95-6 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

Symbol GHS05
GHS05
Signal Word Danger
Hazard Statements H314
Precautionary Statements P280-P305 + P351 + P338-P310
Personal Protective Equipment Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes C
Risk Phrases 34
Safety Phrases S26-S36/37/39-S45
RIDADR UN 3265 8/PG 2
WGK Germany 3
Packaging Group II
Hazard Class 8
HS Code 2916399090

 Synthetic Route

~%

4-n-hexylbenzoyl chloride Structure

4-n-hexylbenzoy...

CAS#:50606-95-6

Literature: Kizner, T. A.; Mikhaleva, M. A.; Serebryakova, E. S. Chemistry of Heterocyclic Compounds (New York, NY, United States), 1991 , vol. 27, # 3 p. 313 - 315 Khimiya Geterotsiklicheskikh Soedinenii, 1991 , # 3 p. 386 - 388

~%

4-n-hexylbenzoyl chloride Structure

4-n-hexylbenzoy...

CAS#:50606-95-6

Literature: Tinh; Pourrere; Destrade Molecular crystals and liquid crystals, 1980 , vol. 62, # 1-2 p. 125 - 139

 Customs

HS Code 2916399090
Summary 2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

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Bull. Chem. Soc. Jpn. 69(5) , 1213-1222, (1996)

 Synonyms

4-n-Hexylbenzoyl Chloride
EINECS 256-647-6
MFCD00000701
4-hexylbenzoyl chloride