4-(2-Hydroxyethyl)benzonitrile

Modify Date: 2024-01-03 07:15:19

4-(2-Hydroxyethyl)benzonitrile Structure
4-(2-Hydroxyethyl)benzonitrile structure
Common Name 4-(2-Hydroxyethyl)benzonitrile
CAS Number 69395-13-7 Molecular Weight 147.174
Density 1.1±0.1 g/cm3 Boiling Point 300.2±25.0 °C at 760 mmHg
Molecular Formula C9H9NO Melting Point 50-51°C
MSDS USA Flash Point 135.3±23.2 °C

 Names

Name 4-(2-Hydroxyethyl)Benzonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.1±0.1 g/cm3
Boiling Point 300.2±25.0 °C at 760 mmHg
Melting Point 50-51°C
Molecular Formula C9H9NO
Molecular Weight 147.174
Flash Point 135.3±23.2 °C
Exact Mass 147.068420
PSA 44.02000
LogP 0.80
Vapour Pressure 0.0±0.7 mmHg at 25°C
Index of Refraction 1.559

 MSDS

Name: 4-(2-Hydroxyethyl)benzonitrile 97% Material Safety Data Sheet
Synonym:
CAS: 69395-13-7
Section 1 - Chemical Product MSDS Name:4-(2-Hydroxyethyl)benzonitrile 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
69395-13-7 4-(2-Hydroxyethyl)benzonitrile 97% 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.Moisture 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 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:
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# 69395-13-7: 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: pale yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 116 - 118 deg C @0.5mmHg
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: C9H9NO
Molecular Weight: 147

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

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 69395-13-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-(2-Hydroxyethyl)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# 69395-13-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 69395-13-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 69395-13-7 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 R20/21/22
Safety Phrases S26-S36/37/39
RIDADR 3439
Packaging Group III
Hazard Class 6.1
HS Code 2926909090

 Synthetic Route

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4-(2-Hydroxyethyl)benzonitrile Structure

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CAS#:69395-13-7

Literature: Chernyak, Natalia; Buchwald, Stephen L. Journal of the American Chemical Society, 2012 , vol. 134, # 43 p. 18147 - 18147,1

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4-(2-Hydroxyethyl)benzonitrile Structure

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CAS#:69395-13-7

Literature: Journal of the American Chemical Society, , vol. 134, # 30 p. 12466 - 12469

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4-(2-Hydroxyethyl)benzonitrile Structure

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CAS#:69395-13-7

Literature: Helvetica Chimica Acta, , vol. 64, # 5 p. 1688 - 1703

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4-(2-Hydroxyethyl)benzonitrile Structure

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CAS#:69395-13-7

Literature: Helvetica Chimica Acta, , vol. 64, # 5 p. 1688 - 1703

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4-(2-Hydroxyethyl)benzonitrile Structure

4-(2-Hydroxyeth...

CAS#:69395-13-7

Literature: Journal of the American Chemical Society, , vol. 104, # 7 p. 1937 - 1951

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4-(2-Hydroxyethyl)benzonitrile Structure

4-(2-Hydroxyeth...

CAS#:69395-13-7

Literature: Organic and Biomolecular Chemistry, , vol. 1, # 14 p. 2499 - 2505

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4-(2-Hydroxyethyl)benzonitrile Structure

4-(2-Hydroxyeth...

CAS#:69395-13-7

Literature: Helvetica Chimica Acta, , vol. 64, # 5 p. 1688 - 1703

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4-(2-Hydroxyethyl)benzonitrile Structure

4-(2-Hydroxyeth...

CAS#:69395-13-7

Literature: Pharmazie, , vol. 37, # 1 p. 13 - 16

 Customs

HS Code 2926909090
Summary HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

 Synonyms

4-(2-Hydroxyethyl)benzonitrile
MFCD00052461
Benzonitrile, 4-(2-hydroxyethyl)-