Benzonitrile,4-(1H-pyrrol-1-yl)-

Modify Date: 2024-02-04 13:48:02

Benzonitrile,4-(1H-pyrrol-1-yl)- Structure
Benzonitrile,4-(1H-pyrrol-1-yl)- structure
Common Name Benzonitrile,4-(1H-pyrrol-1-yl)-
CAS Number 23351-07-7 Molecular Weight 168.19500
Density 1.05g/cm3 Boiling Point 312.8ºC at 760mmHg
Molecular Formula C11H8N2 Melting Point 96-98ºC
MSDS N/A Flash Point 143ºC

 Names

Name 1-(4-Cyanophenyl)pyrrole
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.05g/cm3
Boiling Point 312.8ºC at 760mmHg
Melting Point 96-98ºC
Molecular Formula C11H8N2
Molecular Weight 168.19500
Flash Point 143ºC
Exact Mass 168.06900
PSA 28.72000
LogP 2.34898
Vapour Pressure 0.000518mmHg at 25°C
Index of Refraction 1.589

 MSDS

Name: 4-(1H-Pyrrol-1-yl)benzonitrile Material Safety Data Sheet
Synonym:
CAS: 23351-07-7
Section 1 - Chemical Product MSDS Name:4-(1H-Pyrrol-1-yl)benzonitrile Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
23351-07-7 4-(1H-Pyrrol-1-yl)benzonitrile unlisted
Hazard Symbols: XN
Risk Phrases: 20/21/22

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.
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.
Inhalation:
Harmful if inhaled. May cause 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 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.

Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
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# 23351-07-7: 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: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
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: C11H8N2
Molecular Weight: 168.2

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 23351-07-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-(1H-Pyrrol-1-yl)benzonitrile - 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: 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# 23351-07-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 23351-07-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 23351-07-7 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 Xn:Harmful;
Risk Phrases 20/21/22
Safety Phrases 22-36/37/39
HS Code 2933990090

 Synthetic Route

~88%

Benzonitrile,4-(1H-pyrrol-1-yl)- Structure

Benzonitrile,4-...

CAS#:23351-07-7

Literature: Kaugars, Girts; Watt, William Journal of Heterocyclic Chemistry, 1993 , vol. 30, # 2 p. 497 - 500

~92%

Benzonitrile,4-(1H-pyrrol-1-yl)- Structure

Benzonitrile,4-...

CAS#:23351-07-7

Literature: Anderson, Benjamin A.; Bell, Edward C.; Ginah, Francis O.; Harn, Nancy K.; Pagh, Lisa M.; Wepsiec, James P. Journal of Organic Chemistry, 1998 , vol. 63, # 23 p. 8224 - 8228

~75%

Benzonitrile,4-(1H-pyrrol-1-yl)- Structure

Benzonitrile,4-...

CAS#:23351-07-7

Literature: Shen, Tao; Wang, Teng; Qin, Chong; Jiao, Ning Angewandte Chemie - International Edition, 2013 , vol. 52, # 26 p. 6677 - 6680 Angew. Chem., 2013 , vol. 125, # 26 p. 6809 - 6612,4

 Customs

HS Code 2933990090
Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

4-pyrrol-1-ylbenzonitrile
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