3,4-dimethylbenzene-1-carbonyl chloride

Modify Date: 2025-08-26 21:52:43

3,4-dimethylbenzene-1-carbonyl chloride Structure
3,4-dimethylbenzene-1-carbonyl chloride structure
Common Name 3,4-dimethylbenzene-1-carbonyl chloride
CAS Number 21900-23-2 Molecular Weight 168.62000
Density 1.136g/cm3 Boiling Point 257.4ºC at 760mmHg
Molecular Formula C9H9ClO Melting Point N/A
MSDS N/A Flash Point 112.4ºC

 Names

Name 3,4-dimethylbenzoyl chloride
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.136g/cm3
Boiling Point 257.4ºC at 760mmHg
Molecular Formula C9H9ClO
Molecular Weight 168.62000
Flash Point 112.4ºC
Exact Mass 168.03400
PSA 17.07000
LogP 2.68240
Vapour Pressure 0.0145mmHg at 25°C
Index of Refraction 1.534
Storage condition Store under Nitrogen

 MSDS

Name: 3 4-Dimethylbenzene-1-carbonyl chloride 97% Material Safety Data Sheet
Synonym: 3,4-Dimethylbenzoyl chlorid
CAS: 21900-23-2
Section 1 - Chemical Product MSDS Name:3 4-Dimethylbenzene-1-carbonyl chloride 97% Material Safety Data Sheet
Synonym:3,4-Dimethylbenzoyl chlorid

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
21900-23-2 3,4-Dimethylbenzene-1-carbonyl chlorid 97% unlisted
Hazard Symbols: C
Risk Phrases: 34

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Causes burns.Moisture sensitive.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns.
Ingestion:
Causes gastrointestinal tract burns.
Inhalation:
Causes chemical burns to the respiratory tract.
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:
Do not induce vomiting. Get medical aid immediately.
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:
Treat symptomatically and supportively.

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:
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.
Corrosives area. Store under nitrogen.

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# 21900-23-2: 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: colorless
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 126 - 128 deg C @15mmHg
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: C9H9ClO
Molecular Weight: 169

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials, exposure to moist air or water.
Incompatibilities with Other Materials:
Oxidizing agents, reducing agents, alcohols, amines.
Hazardous Decomposition Products:
Hydrogen chloride, chlorine, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 21900-23-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3,4-Dimethylbenzene-1-carbonyl chloride - 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, ACIDIC, ORGANIC, N.O.S.*
Hazard Class: 8
UN Number: 3265
Packing Group: III
IMO
Shipping Name: CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3265
Packing Group: III
RID/ADR
Shipping Name: CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3265
Packing group: III

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 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.
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# 21900-23-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 21900-23-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 21900-23-2 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 C: Corrosive;
Risk Phrases R34
Safety Phrases 26-36/37/39
RIDADR UN 3265
HS Code 2916399090

 Synthetic Route

~91%

3,4-dimethylbenzene-1-carbonyl chloride Structure

3,4-dimethylben...

CAS#:21900-23-2

Literature: Klaerner, Frank-Gerrit; Madenci, Suereyya; Kuchenbrandt, Mireia Campana; Blaeser, Dieter; Boese, Roland; Fukuhara, Gaku; Inoue, Yoshihisa European Journal of Organic Chemistry, 2012 , # 18 p. 3385 - 3395

~%

3,4-dimethylbenzene-1-carbonyl chloride Structure

3,4-dimethylben...

CAS#:21900-23-2

Literature: Journal of the Chemical Society, , p. 2323,2331 Journal of the Society of Chemical Industry, London, , vol. 53, p. 71 T

~%

3,4-dimethylbenzene-1-carbonyl chloride Structure

3,4-dimethylben...

CAS#:21900-23-2

Literature: Recueil des Travaux Chimiques des Pays-Bas, , vol. 79, p. 1211 - 1222

~%

3,4-dimethylbenzene-1-carbonyl chloride Structure

3,4-dimethylben...

CAS#:21900-23-2

Literature: Recueil des Travaux Chimiques des Pays-Bas, , vol. 79, p. 1211 - 1222

~%

3,4-dimethylbenzene-1-carbonyl chloride Structure

3,4-dimethylben...

CAS#:21900-23-2

Literature: Recueil des Travaux Chimiques des Pays-Bas, , vol. 42, p. 412

 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%

 Synonyms

3,4-dimethylbenzene-1-carbonyl chloride
3,4-Dimethylbenzoylchloride
4-(Chlorocarbonyl)-o-xylene
4-(Chloroformyl)-o-xylene
3,4-Dimethyl-benzoylchlorid
3,4-dimethylbenzoic acid chloride
MFCD00045219
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