2-methylbenzyl isocyanate

Modify Date: 2024-01-08 16:22:35

2-methylbenzyl isocyanate Structure
2-methylbenzyl isocyanate structure
Common Name 2-methylbenzyl isocyanate
CAS Number 56651-58-2 Molecular Weight 147.17400
Density 1.059 g/mL at 25 °C(lit.) Boiling Point 226 °C(lit.)
Molecular Formula C9H9NO Melting Point N/A
MSDS Chinese USA Flash Point 210 °F
Symbol GHS05 GHS07
GHS05, GHS07
Signal Word Danger

 Names

Name 1-(isocyanatomethyl)-2-methylbenzene
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.059 g/mL at 25 °C(lit.)
Boiling Point 226 °C(lit.)
Molecular Formula C9H9NO
Molecular Weight 147.17400
Flash Point 210 °F
Exact Mass 147.06800
PSA 29.43000
LogP 1.83080
Index of Refraction n20/D 1.528(lit.)
Storage condition 2-8°C

 MSDS

Name: 2-Methylbenzyl isocyanate Material Safety Data Sheet
Synonym: None
CAS: 56651-58-2
Section 1 - Chemical Product MSDS Name:2-Methylbenzyl isocyanate Material Safety Data Sheet
Synonym:None

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
56651-58-2 2-Methylbenzyl isocyanate 100.0 unlisted
Hazard Symbols: XN
Risk Phrases: 20/21/22 36/37/38

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.
Irritating to eyes, respiratory system and skin.Moisture sensitive.Lachrymator (substance which increases the flow of tears).
Potential Health Effects
Eye:
Causes eye irritation. Lachrymator (substance which increases the flow of tears).
Skin:
Causes skin irritation.
Ingestion:
May cause irritation of the digestive tract.
Inhalation:
Causes respiratory tract irritation.
Chronic:
No information found.

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 immediately.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. 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:
Antidote: None reported.

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 carbon dioxide or dry chemical.

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. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation.

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Use with adequate ventilation. 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 tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 56651-58-2: 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.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Liquid
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 65 deg C @ .65mm Hg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: 210 deg F ( 98.89 deg C)
Explosion Limits, lower: N/A
Explosion Limits, upper: N/A
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: CH3C6H4CH2NCO
Molecular Weight: 147.18

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, exposure to moist air or water.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 56651-58-2 unlisted.
LD50/LC50:
Not available.
Not available.
Carcinogenicity:
2-Methylbenzyl isocyanate - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION
Other No information available.

Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION

IATA
Shipping Name: ISOCYANATES, TOXIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2206
Packing Group: III
IMO
Shipping Name: ISOCYANATES, TOXIC, N.O.S.
Hazard Class: 6.1
UN Number: 2206
Packing Group: III
RID/ADR
Shipping Name: ISOCYANATES, TOXIC, N.O.S.
Hazard Class: 6.1
UN Number: 2206
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.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 28A After contact with skin, wash immediately with
plenty of water.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
S 37 Wear suitable gloves.
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# 56651-58-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 56651-58-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 56651-58-2 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

Symbol GHS05 GHS07
GHS05, GHS07
Signal Word Danger
Hazard Statements H302-H315-H318-H335
Precautionary Statements P261-P280-P305 + P351 + P338
Personal Protective Equipment Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes Xn
Risk Phrases R22
Safety Phrases S26-S39
RIDADR UN 3334
WGK Germany 3
HS Code 2929109000

 Synthetic Route

~62%

2-methylbenzyl isocyanate Structure

2-methylbenzyl ...

CAS#:56651-58-2

Literature: Kozhushko, B. N.; Lomakina, A. V.; Paliichuk, Yu. A.; Shokol, V. A. Journal of Organic Chemistry USSR (English Translation), 1984 , vol. 20, p. 654 - 660 Zhurnal Organicheskoi Khimii, 1984 , vol. 20, # 4 p. 721 - 727

~%

2-methylbenzyl isocyanate Structure

2-methylbenzyl ...

CAS#:56651-58-2

Literature: Journal of Medicinal Chemistry, , vol. 35, # 21 p. 3745 - 3754

~22%

2-methylbenzyl isocyanate Structure

2-methylbenzyl ...

CAS#:56651-58-2

Detail
Literature: Kozhushko, B. N.; Lomakina, A. V.; Paliichuk, Yu. A.; Shokol, V. A. Journal of Organic Chemistry USSR (English Translation), 1984 , vol. 20, p. 654 - 660 Zhurnal Organicheskoi Khimii, 1984 , vol. 20, # 4 p. 721 - 727

 Customs

HS Code 2929109000
Summary 2929109000. other isocyanates. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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 Synonyms

R-(+)-methylbenzyl isocyanate
(2-methylphenyl)methanisocyanate
2-tolylmethyl isocyanate
methylbenzyl isocyanate
2-Methylbenzyl isocyanate
(S)-methylbenzyl isocyanate
MFCD00673058
1-isocyanatomethyl-2-methyl-benzene