3-(2-FORMYL-1H-PYRROL-1-YL)BENZONITRILE

Modify Date: 2024-01-10 15:46:18

3-(2-FORMYL-1H-PYRROL-1-YL)BENZONITRILE Structure
3-(2-FORMYL-1H-PYRROL-1-YL)BENZONITRILE structure
Common Name 3-(2-FORMYL-1H-PYRROL-1-YL)BENZONITRILE
CAS Number 209958-45-2 Molecular Weight 196.20500
Density 1.13g/cm3 Boiling Point 377.4ºC at 760 mmHg
Molecular Formula C12H8N2O Melting Point 145ºC
MSDS N/A Flash Point 182.1ºC

 Names

Name 3-(2-formylpyrrol-1-yl)benzonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.13g/cm3
Boiling Point 377.4ºC at 760 mmHg
Melting Point 145ºC
Molecular Formula C12H8N2O
Molecular Weight 196.20500
Flash Point 182.1ºC
Exact Mass 196.06400
PSA 45.79000
LogP 2.16148
Vapour Pressure 6.76E-06mmHg at 25°C
Index of Refraction 1.601
Storage condition 2-8°C

 MSDS

Name: 3-(2-Formyl-1H-pyrrol-1-yl)benzonitrile 97% Material Safety Data Sheet
Synonym:
CAS: 209958-45-2
Section 1 - Chemical Product MSDS Name:3-(2-Formyl-1H-pyrrol-1-yl)benzonitrile 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
209958-45-2 3-(2-Formyl-1H-pyrrol-1-yl)benzonitril 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.Air sensitive.
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.
Store under nitrogen.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 209958-45-2: 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: Solid
Color: brown
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 145 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: C12H8N2O
Molecular Weight: 196.21

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

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 209958-45-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3-(2-Formyl-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# 209958-45-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 209958-45-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 209958-45-2 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 Xn:Harmful;
Risk Phrases R20/21/22
Safety Phrases 36/37
RIDADR UN 3439
HS Code 2933990090

 Synthetic Route

~83%

3-(2-FORMYL-1H-PYRROL-1-YL)BENZONITRILE Structure

3-(2-FORMYL-1H-...

CAS#:209958-45-2

Literature: Pinto; Orwat; Wang; Fevig; Quan; Amparo; Cacciola; Rossi; Alexander; Smallwood; Luettgen; Liang; Aungst; Wright; Knabb; Wong; Wexler; Lam Journal of Medicinal Chemistry, 2001 , vol. 44, # 4 p. 566 - 578

~%

3-(2-FORMYL-1H-PYRROL-1-YL)BENZONITRILE Structure

3-(2-FORMYL-1H-...

CAS#:209958-45-2

Literature: Journal of Medicinal Chemistry, , vol. 44, # 4 p. 566 - 578

~%

3-(2-FORMYL-1H-PYRROL-1-YL)BENZONITRILE Structure

3-(2-FORMYL-1H-...

CAS#:209958-45-2

Literature: Chemische Berichte, , vol. 85, p. 483,486

 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

MFCD03086206
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