4-Cyanobenzenesulfonamide

Modify Date: 2024-01-16 11:20:19

4-Cyanobenzenesulfonamide Structure
4-Cyanobenzenesulfonamide structure
Common Name 4-Cyanobenzenesulfonamide
CAS Number 3119-02-6 Molecular Weight 182.200
Density 1.5±0.1 g/cm3 Boiling Point 400.7±47.0 °C at 760 mmHg
Molecular Formula C7H6N2O2S Melting Point 166ºC
MSDS USA Flash Point 196.2±29.3 °C

 Names

Name 4-cyanobenzenesulfonamide
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.5±0.1 g/cm3
Boiling Point 400.7±47.0 °C at 760 mmHg
Melting Point 166ºC
Molecular Formula C7H6N2O2S
Molecular Weight 182.200
Flash Point 196.2±29.3 °C
Exact Mass 182.014999
PSA 92.33000
LogP 0.23
Vapour Pressure 0.0±0.9 mmHg at 25°C
Index of Refraction 1.626

 MSDS

Name: 4-Cyanobenzene-1-sulfonamide 95+% Material Safety Data Sheet
Synonym: None Known
CAS: 3119-02-6
Section 1 - Chemical Product MSDS Name:4-Cyanobenzene-1-sulfonamide 95+% Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
3119-02-6 4-Cyanobenzene-1-sulfonamide, 95+% 95+% 221-492-5
Hazard Symbols: XN
Risk Phrases: 20/21/22

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
The toxicological properties of this substance have not been fully investigated.
Inhalation:
Harmful if inhaled. May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

Section 4 - FIRST AID MEASURES
Eyes: In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical aid.
Skin:
In case of contact, flush skin with plenty of water. Remove contaminated clothing and shoes. Get medical aid if irritation develops and persists. Wash clothing before reuse.
Ingestion:
If swallowed, do not induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an unconscious person. Get medical aid.
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:
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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
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:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Use with adequate ventilation.
Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing.
Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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# 3119-02-6: 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. 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: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 165 - 168 deg C
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: C7H6N2O2S
Molecular Weight: 182

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 3119-02-6: DB1582000 LD50/LC50:
Not available.
Carcinogenicity:
4-Cyanobenzene-1-sulfonamide, 95+% - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

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: NITRILES, SOLID, TOXIC, N.O.S.*
Hazard Class: 6.1
UN Number: 3276
Packing Group: III
IMO
Shipping Name: NITRILES, TOXIC, N.O.S.
Hazard Class: 6.1
UN Number: 3276
Packing Group: III
RID/ADR
Shipping Name: NITRILES, TOXIC, N.O.S.
Hazard Class: 6.1
UN Number: 3276
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.
Safety Phrases:
S 36/37 Wear suitable protective clothing and
gloves.
WGK (Water Danger/Protection)
CAS# 3119-02-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 3119-02-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 3119-02-6 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DB1582000
CHEMICAL NAME :
Benzenesulfonamide, p-cyano-
CAS REGISTRY NUMBER :
3119-02-6
BEILSTEIN REFERENCE NO. :
2093857
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C7-H6-N2-O2-S
MOLECULAR WEIGHT :
182.21
WISWESSER LINE NOTATION :
ZSWR DCN

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
650 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 8,548,1965

 Safety Information

Hazard Codes Xi: Irritant;
Risk Phrases R20/21/22
Safety Phrases 26-36/37/39
RIDADR UN 3276
HS Code 2935009090

 Synthetic Route

~65%

4-Cyanobenzenesulfonamide Structure

4-Cyanobenzenes...

CAS#:3119-02-6

Literature: Lin, Shwu-Jiuan; Tsai, Wei-Jern; Chiou, Wen-Fei; Yang, Tsang-Hsiung; Yang, Li-Ming Bioorganic and Medicinal Chemistry, 2008 , vol. 16, # 5 p. 2697 - 2706

~%

4-Cyanobenzenesulfonamide Structure

4-Cyanobenzenes...

CAS#:3119-02-6

Literature: Journal of the American Chemical Society, , vol. 62, p. 2099,2101 Farmaco (1946-1952), , vol. 4, p. 290,298 Rev.Inst.Salubridad, , vol. 7, p. 95,96

~%

4-Cyanobenzenesulfonamide Structure

4-Cyanobenzenes...

CAS#:3119-02-6

Literature: Zhurnal Obshchei Khimii, , vol. 18, p. 110,112 Chem.Abstr., , p. 4976

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4-Cyanobenzenesulfonamide Structure

4-Cyanobenzenes...

CAS#:3119-02-6

Literature: American Chemical Journal, , vol. 18, p. 163,165

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4-Cyanobenzenesulfonamide Structure

4-Cyanobenzenes...

CAS#:3119-02-6

Literature: Yakugaku Zasshi, , vol. 73, p. 1243 Chem.Abstr., , p. 12701

 Customs

HS Code 2935009090
Summary 2935009090 other sulphonamides VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:35.0%

 Synonyms

p-canobenzenesulfonamide
MFCD00178767
Benzenesulfonamide,4-cyano
4-Cyanobenzenesulphonamide
EINECS 221-492-5
Benzenesulfonamide,p-cyano
p-Cyanobenzenesulfonamide
4-CYANOBENZENE-1-SULFONAMIDE
4-Cyanobenzenesulfonamide
Benzenesulfonamide, 4-cyano-
4-cyano-benzenesulfonic acid amide
4-cyano-1-sulfamoylbenzene
p-Cyanobenzenesulphonamide
4-Cyan-benzolsulfonsaeure-amid
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