Methyl isocyanatoformate

Modify Date: 2024-01-11 14:37:38

Methyl isocyanatoformate Structure
Methyl isocyanatoformate structure
Common Name Methyl isocyanatoformate
CAS Number 5843-42-5 Molecular Weight 101.06100
Density 1.251 g/mL at 25ºC(lit.) Boiling Point 97ºC(lit.)
Molecular Formula C3H3NO3 Melting Point N/A
MSDS Chinese USA Flash Point 87 °F
Symbol GHS02 GHS07 GHS08
GHS02, GHS07, GHS08
Signal Word Danger

 Use of Methyl isocyanatoformate


Methoxycarbonyl isocyanate can be used for compound synthesis[1].

 Names

Name methyl N-(oxomethylidene)carbamate
Synonym More Synonyms

 Methyl isocyanatoformate Biological Activity

Description Methoxycarbonyl isocyanate can be used for compound synthesis[1].
Related Catalog
References

[1]. Komuro K, et al. Efficient Preparation of Cyclic α-Alkylidene β-Oxo Imides by Using a Flow Microreactor System. Synlett, 2018, 29(15): 1989-1994.

 Chemical & Physical Properties

Density 1.251 g/mL at 25ºC(lit.)
Boiling Point 97ºC(lit.)
Molecular Formula C3H3NO3
Molecular Weight 101.06100
Flash Point 87 °F
Exact Mass 101.01100
PSA 55.73000
LogP 0.08860
Index of Refraction n20/D 1.413(lit.)

 MSDS


Section1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name: Methyl isocyanatoformate
CAS-No.: 5843-42-5
Relevant identified uses of the substance or mixture and uses advised against
Identified uses: Laboratory chemicals, Manufacture of substances



Section2. HAZARDS IDENTIFICATION
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008 [EU-GHS/CLP]
Flammable liquids (Category 3)
Acute toxicity, Inhalation (Category 4)
Acute toxicity, Dermal (Category 4)
Acute toxicity, Oral (Category 4)
Skin irritation (Category 2)
Eye irritation (Category 2)
Respiratory sensitization (Category 1)
Specific target organ toxicity - single exposure (Category 3)
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Flammable. Harmful by inhalation, in contact with skin and if swallowed. Irritating to eyes, respiratory
system and skin. May cause sensitization by inhalation.
Label elements
Labelling according Regulation (EC) No 1272/2008 [CLP]
Pictogram
Signal wordDanger
Hazard statement(s)
H226Flammable liquid and vapour.
H302Harmful if swallowed.
H312Harmful in contact with skin.
H315Causes skin irritation.
H319Causes serious eye irritation.
H332Harmful if inhaled.
H334May cause allergy or asthma symptoms or breathing difficulties if inhaled.
H335May cause respiratory irritation.
Precautionary statement(s)
P261Avoid breathing vapours.
P280Wear protective gloves/ protective clothing.
P305 + P351 + P338IF IN EYES: Rinse cautiously with water for several minutes. Remove
contact lenses, if present and easy to do. Continue rinsing.
P342 + P311If experiencing respiratory symptoms: Call a POISON CENTER or doctor/
physician.
Supplemental Hazardnone
Statements
According to European Directive 67/548/EEC as amended.
Hazard symbol(s)
R-phrase(s)
R10Flammable.
R20/21/22Harmful by inhalation, in contact with skin and if swallowed.
R36/37/38Irritating to eyes, respiratory system and skin.
R42May cause sensitization by inhalation.
S-phrase(s)
S16Keep away from sources of ignition - No smoking.
S26In case of contact with eyes, rinse immediately with plenty of water and
seek medical advice.
S36/37Wear suitable protective clothing and gloves.
Other hazards
Lachrymator.

Section3. COMPOSITION/INFORMATION ON INGREDIENTS
Substances
Formula: C3H3NO3
Molecular Weight: 101,06 g/mol
ComponentConcentration
Methyl isocyanatoformate
CAS-No.5843-42-5-

Section4. FIRST AID MEASURES
Description of first aid measures
General advice
Consult a physician. Show this safety data sheet to the doctor in attendance.
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
In case of skin contact
Wash off with soap and plenty of water. Consult a physician.
In case of eye contact
Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
If swallowed
Do NOT induce vomiting. Never give anything by mouth to an unconscious person. Rinse mouth with
water. Consult a physician.
Most important symptoms and effects, both acute and delayed
burning sensation, Cough, wheezing, laryngitis, Shortness of breath, Headache, Nausea, Vomiting
Indication of any immediate medical attention and special treatment needed
no data available

Section5. FIREFIGHTING MEASURES
Extinguishing media
Suitable extinguishing media
For small (incipient) fires, use media such as "alcohol" foam, dry chemical, or carbon dioxide. For large
fires, apply water from as far as possible. Use very large quantities (flooding) of water applied as a mist or
spray; solid streams of water may be ineffective. Cool all affected containers with flooding quantities of
water.
Special hazards arising from the substance or mixture
Carbon oxides, nitrogen oxides (NOx)
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
Use water spray to cool unopened containers.

Section6. ACCIDENTAL RELEASE MEASURES
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid breathing vapors, mist or gas. Ensure adequate ventilation.
Remove all sources of ignition. Evacuate personnel to safe areas. Beware of vapours accumulating to
form explosive concentrations. Vapours can accumulate in low areas.
Environmental precautions
Prevent further leakage or spillage if safe to do so. Do not let product enter drains.
Methods and materials for containment and cleaning up
Contain spillage, and then collect with an electrically protected vacuum cleaner or by wet-brushing and
place in container for disposal according to local regulations (see section 13).
Reference to other sections
For disposal see section 13.

Section7. HANDLING AND STORAGE
Precautions for safe handling
Avoid contact with skin and eyes. Avoid inhalation of vapour or mist.
Keep away from sources of ignition - No smoking.Take measures to prevent the build up of electrostatic
charge.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Containers which are
opened must be carefully resealed and kept upright to prevent leakage.
Recommended storage temperature: -20 °C
Moisture sensitive.
Specific end use(s)
no data available

Section8. EXPOSURE CONTROLS/PERSONAL PROTECTION
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
at the end of workday.
Personal protective equipment
Eye/face protection
Face shield and safety glasses Use equipment for eye protection tested and approved under
appropriate government standards such as NIOSH (US) or EN 166(EU).
Skin protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
(without touching glove's outer surface) to avoid skin contact with this product. Dispose of
contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
Body Protection
Complete suit protecting against chemicals, Flame retardant antistatic protective clothing, The type
of protective equipment must be selected according to the concentration and amount of the
dangerous substance at the specific workplace.
Respiratory protection
Where risk assessment shows air-purifying respirators are appropriate use a full-face respirator
with multi-purpose combination (US) or type ABEK (EN 14387) respirator cartridges as a backup
to engineering controls. If the respirator is the sole means of protection, use a full-face supplied air
respirator. Use respirators and components tested and approved under appropriate government
standards such as NIOSH (US) or CEN (EU).

Section9. PHYSICAL AND CHEMICAL PROPERTIES
Information on basic physical and chemical properties
a) AppearanceForm: liquid
Colour: colourless
b) Odourno data available
c) Odour Thresholdno data available
d) pHno data available
e) Melting point/freezingno data available
point
f) Initial boiling point and 97 °C - lit.
boiling range
g) Flash point31 °C - closed cup
h) Evaporation rateno data available
i) Flammability (solid, gas) no data available
j) Upper/lowerno data available
flammability or
explosive limits
k) Vapour pressureno data available
l) Vapour densityno data available
m) Relative density1,251 g/cm3 at 25 °C
n) Water solubilityno data available
o) Partition coefficient: n- no data available
octanol/water
p) Auto-ignitionno data available
temperature
q) Decompositionno data available
temperature
r) Viscosityno data available
s) Explosive propertiesno data available
t) Oxidizing propertiesno data available
Other safety information
no data available

Section10. STABILITY AND REACTIVITY
Reactivity
no data available
Chemical stability
no data available
Possibility of hazardous reactions
no data available
Conditions to avoid
Heat, flames and sparks.
Incompatible materials
Strong oxidizing agentsStrong acids, Alcohols, Strong oxidizing agents
Hazardous decomposition products
Other decomposition products - no data available

Section11. TOXICOLOGICAL INFORMATION
Information on toxicological effects
Acute toxicity
no data available
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitization
May cause allergic respiratory reaction.
Germ cell mutagenicity
no data available
Carcinogenicity
IARC:No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
no data available
Specific target organ toxicity - single exposure
Inhalation - May cause respiratory irritation.
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Potential health effects
InhalationHarmful if inhaled. Causes respiratory tract irritation.
IngestionHarmful if swallowed.
SkinHarmful if absorbed through skin. Causes skin irritation.
Eyes
Causes serious eye irritation.
Signs and Symptoms of Exposure
burning sensation, Cough, wheezing, laryngitis, Shortness of breath, Headache, Nausea, Vomiting
Additional Information
RTECS: Not available

Section12. ECOLOGICAL INFORMATION
Toxicity
no data available
Persistence and degradability
no data available
Bioaccumulative potential
no data available
Mobility in soil
no data available
Results of PBT and vPvB assessment
no data available
Other adverse effects
no data available

Section13. DISPOSAL CONSIDERATIONS
Waste treatment methods
Product
Burn in a chemical incinerator equipped with an afterburner and scrubber but exert extra care in igniting
as this material is highly flammable. Offer surplus and non-recyclable solutions to a licensed disposal
company. Contact a licensed professional waste disposal service to dispose of this material.
Contaminated packaging
Dispose of as unused product.

Section14. TRANSPORT INFORMATION
UN number
ADR/RID: 1993IMDG: 1993IATA: 1993
UN proper shipping name
ADR/RID: FLAMMABLE LIQUID, N.O.S. (Methyl isocyanatoformate)
IMDG: FLAMMABLE LIQUID, N.O.S. (Methyl isocyanatoformate)
IATA:Flammable liquid, n.o.s. (Methyl isocyanatoformate)
Transport hazard class(es)
ADR/RID: 3IMDG: 3IATA: 3
Packaging group
ADR/RID: IIIIMDG: IIIIATA: III
Environmental hazards
ADR/RID: noIMDG Marine Pollutant: noIATA: no
Special precautions for user
no data available

Section15. REGULATORY INFORMATION
This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
Safety, health and environmental regulations/legislation specific for the substance or mixture
no data available
Chemical Safety Assessment
no data available

Section16. OTHER INFORMATION
Further information
Copyright 2012 Co. LLC. License granted to make unlimited paper copies for internal use
only.
The above information is believed to be correct but does not purport to be all inclusive and shall be
used only as a guide. The information in this document is based on the present state of our knowledge
and is applicable to the product with regard to appropriate safety precautions. It does not represent any
guarantee of the properties of the product. Corporation and its Affiliates shall not be held
liable for any damage resulting from handling or from contact with the above product. See
and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.

 Safety Information

Symbol GHS02 GHS07 GHS08
GHS02, GHS07, GHS08
Signal Word Danger
Hazard Statements H226-H302-H312-H315-H319-H332-H334-H335
Precautionary Statements P261-P280-P305 + P351 + P338-P342 + P311
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 10-20/21/22-36/37/38-42
Safety Phrases 16-26-36/37
RIDADR UN 1993 3/PG 3
HS Code 2929109000

 Synthetic Route

~%

Methyl isocyanatoformate Structure

Methyl isocyana...

CAS#:5843-42-5

Literature: Tetrahedron, , vol. 31, p. 2007 - 2014

~%

Methyl isocyanatoformate Structure

Methyl isocyana...

CAS#:5843-42-5

Literature: Chemische Berichte, , vol. 44, p. 3164

~%

Methyl isocyanatoformate Structure

Methyl isocyana...

CAS#:5843-42-5

Literature: J. Gen. Chem. USSR (Engl. Transl.), , vol. 47, p. 2259 - 2266,2061 - 2067

 Customs

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

 Synonyms

methyl carbonisocyanatidoate
n-(methoxycarbonyl)isocyanate
carbonylcarbamic acid methyl ester
MFCD00037079
Carbomethoxy-carbonimid
carbonisocyanatidic acid methyl ester
methylisocyanatoformate
methoxycarbonyl isocyanate
Carbonyl-carbamidsaeure-methylester
methyl N-carbonylcarbamate