598-45-8

598-45-8 structure
598-45-8 structure
  • Name: Isopropyl isocyanide
  • Chemical Name: 2-isocyanopropane
  • CAS Number: 598-45-8
  • Molecular Formula: C4H7N
  • Molecular Weight: 69.10510
  • Create Date: 2018-02-23 08:00:00
  • Modify Date: 2024-01-11 14:04:53

Name 2-isocyanopropane
Synonyms Isopropyl isocyanide
i-propyl isocyanide
Propane,2-isocyano
iso-propyl isonitrile
i-propyl isonitrile
MFCD00015503
Density 0.733 g/mL at 25ºC(lit.)
Boiling Point 75ºC(lit.)
Molecular Formula C4H7N
Molecular Weight 69.10510
Flash Point 69 °F
Exact Mass 69.05780
LogP 0.54480
Index of Refraction n20/D 1.371(lit.)

Section1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name: Isopropyl isocyanide
CAS-No.: 598-45-8
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 2)
Acute toxicity, Inhalation (Category 3)
Acute toxicity, Dermal (Category 3)
Acute toxicity, Oral (Category 3)
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Highly flammable. Toxic by inhalation, in contact with skin and if swallowed.
Label elements
Labelling according Regulation (EC) No 1272/2008 [CLP]
Pictogram
Signal wordDanger
Hazard statement(s)
H225Highly flammable liquid and vapour.
H301Toxic if swallowed.
H311Toxic in contact with skin.
H331Toxic if inhaled.
Precautionary statement(s)
P210Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
P261Avoid breathing dust/ fume/ gas/ mist/ vapours/ spray.
P280Wear protective gloves/ protective clothing.
P301 + P310IF SWALLOWED: Immediately call a POISON CENTER or doctor/
physician.
P311Call a POISON CENTER or doctor/ physician.
Supplemental Hazardnone
Statements
According to European Directive 67/548/EEC as amended.
Hazard symbol(s)
R-phrase(s)
R11Highly flammable.
R23/24/25Toxic by inhalation, in contact with skin and if swallowed.
S-phrase(s)
S16Keep away from sources of ignition - No smoking.
S23Do not breathe vapour.
S26In case of contact with eyes, rinse immediately with plenty of water and
seek medical advice.
S33Take precautionary measures against static discharges.
S36/37/39Wear suitable protective clothing, gloves and eye/face protection.
S45In case of accident or if you feel unwell, seek medical advice immediately
(show the label where possible).
Other hazards - none

Section3. COMPOSITION/INFORMATION ON INGREDIENTS
Substances
Formula: C4H7N
Molecular Weight: 69,11 g/mol
ComponentConcentration
Isopropyl isocyanide
CAS-No.598-45-8-

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. Take victim immediately to hospital. Consult a physician.
In case of eye contact
Flush eyes with water as a precaution.
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
Treat as cyanide poisoning., Always have on hand a cyanide first-aid kit, together with proper instructions.,
The onset of symptoms is generally delayed pending conversion to cyanide., To the best of our knowledge,
the chemical, physical, and toxicological properties have not been thoroughly investigated.
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
Wear respiratory protection. 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: 2 - 8 °C
Specific end use(s)
no data available

Section8. EXPOSURE CONTROLS/PERSONAL PROTECTION
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
Avoid contact with skin, eyes and clothing. Wash hands before breaks and immediately after handling
the product.
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) OdourStench.
c) Odour Thresholdno data available
d) pHno data available
e) Melting point/freezingno data available
point
f) Initial boiling point and 75 °C - lit.
boiling range
g) Flash point20,6 °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 density0,733 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. Extremes of temperature and direct sunlight.
Incompatible materials
Strong oxidizing agentsStrong oxidizing agents, acids
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
no data available
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
no data available
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Potential health effects
InhalationToxic if inhaled. May cause respiratory tract irritation.
IngestionToxic if swallowed.
Skin
Toxic if absorbed through skin. May cause skin irritation.
EyesMay cause eye irritation.
Signs and Symptoms of Exposure
Treat as cyanide poisoning., Always have on hand a cyanide first-aid kit, together with proper instructions.,
The onset of symptoms is generally delayed pending conversion to cyanide., To the best of our knowledge,
the chemical, physical, and toxicological properties have not been thoroughly investigated.
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: 1992IMDG: 1992IATA: 1992
UN proper shipping name
ADR/RID: FLAMMABLE LIQUID, TOXIC, N.O.S. (Isopropyl isocyanide)
IMDG: FLAMMABLE LIQUID, TOXIC, N.O.S. (Isopropyl isocyanide)
IATA:Flammable liquid, toxic, n.o.s. (Isopropyl isocyanide)
Transport hazard class(es)
ADR/RID: 3 (6.1)IMDG: 3 (6.1)IATA: 3 (6.1)
Packaging group
ADR/RID: IIIMDG: IIIATA: II
Environmental hazards
ADR/RID: noIMDG Marine Pollutant: noIATA: no
Special precautions for user
no data available



SECTION 15 - REGULATORY INFORMATION
N/A


SECTION 16 - ADDITIONAL INFORMATION
N/A
Symbol GHS02 GHS06
GHS02, GHS06
Signal Word Danger
Hazard Statements H225-H301-H311-H331
Precautionary Statements P210-P261-P280-P301 + P310-P311
Personal Protective Equipment Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes T: Toxic;F: Flammable;
Risk Phrases R11
Safety Phrases 16-23-26-33-36/37/39-45
RIDADR UN 1992 3