1-Isocyanato-4-(isocyanatomethyl)benzene

Modify Date: 2024-02-04 18:03:13

1-Isocyanato-4-(isocyanatomethyl)benzene Structure
1-Isocyanato-4-(isocyanatomethyl)benzene structure
Common Name 1-Isocyanato-4-(isocyanatomethyl)benzene
CAS Number 99741-73-8 Molecular Weight 174.15600
Density 1.218 g/mL at 25ºC(lit.) Boiling Point 152ºC19 mm Hg(lit.)
Molecular Formula C9H6N2O2 Melting Point N/A
MSDS N/A Flash Point >230 °F

 Names

Name 1-Isocyanato-4-(isocyanatomethyl)benzene
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.218 g/mL at 25ºC(lit.)
Boiling Point 152ºC19 mm Hg(lit.)
Molecular Formula C9H6N2O2
Molecular Weight 174.15600
Flash Point >230 °F
Exact Mass 174.04300
PSA 58.86000
LogP 1.48970
Index of Refraction n20/D 1.557(lit.)

 MSDS


Section1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
: Tolylene-α,4-diisocyanate
Product name
CAS-No.: 99741-73-8


Section2. HAZARDS IDENTIFICATION
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008 [EU-GHS/CLP]
Acute toxicity, Inhalation (Category 2)
Skin irritation (Category 2)
Eye irritation (Category 2)
Skin sensitization (Category 1)
Carcinogenicity (Category 2)
Specific target organ toxicity - single exposure (Category 3)
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Very toxic by inhalation. Irritating to eyes, respiratory system and skin. May cause sensitization by
inhalation and skin contact. Harmful to aquatic organisms, may cause long-term adverse effects in the
aquatic environment. Limited evidence of a carcinogenic effect.
Label elements
Labelling according Regulation (EC) No 1272/2008 [CLP]
Pictogram
Signal wordDanger
Hazard statement(s)
Causes skin irritation.
May cause an allergic skin reaction.
Causes serious eye irritation.
Fatal if inhaled.
May cause respiratory irritation.
Suspected of causing cancer.
Precautionary statement(s)
Do not breathe dust/ fume/ gas/ mist/ vapours/ spray.
Wear protective gloves.
Wear respiratory protection.
P305 + P351 + P338IF IN EYES: Rinse cautiously with water for several minutes. Remove
contact lenses, if present and easy to do. Continue rinsing.
Immediately 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)
R26Very toxic by inhalation.
R36/37/38Irritating to eyes, respiratory system and skin.
R42/43May cause sensitization by inhalation and skin contact.
R52/53Harmful to aquatic organisms, may cause long-term adverse effects in
the aquatic environment.
R40Limited evidence of a carcinogenic effect.
S-phrase(s)
S23Do not breathe vapour.
S36/37Wear suitable protective clothing and gloves.
S45In case of accident or if you feel unwell, seek medical advice immediately
(show the label where possible).
S61Avoid release to the environment. Refer to special instructions/ Safety
data sheets.
Other hazards
Lachrymator.

Section3. COMPOSITION/INFORMATION ON INGREDIENTS
Substances
Formula: C9H6N2O2
Molecular Weight: 174,16 g/mol
ComponentConcentration
Tolylene-α ,4-diisocyanate
CAS-No.99741-73-8-

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
Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
If swallowed
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, spasm,
inflammation and edema of the larynx, spasm, inflammation and edema of the bronchi, pneumonitis,
pulmonary edema
Indication of any immediate medical attention and special treatment needed
no data available

Section5. FIREFIGHTING MEASURES
Extinguishing media
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
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
no data available

Section6. ACCIDENTAL RELEASE MEASURES
Personal precautions, protective equipment and emergency procedures
Wear respiratory protection. Avoid breathing vapors, mist or gas. Ensure adequate ventilation. Evacuate
personnel to safe areas.
Environmental precautions
Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the
environment must be avoided.
Methods and materials for containment and cleaning up
Soak up with inert absorbent material and dispose of as hazardous waste. Keep in suitable, closed
containers for disposal.
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.
Normal measures for preventive fire protection.
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 uses
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, 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: clear, liquid
Colour: colourless
b) Odourno data available
c) Odour Thresholdno data available
d) pHno data available
e) Melting point/freezingMelting point/range: 20 °C
point
f) Initial boiling point and 152 °C at 25 hPa
boiling range
g) Flash point110 °C - closed cup
h) Evaporation rateno data available
i) Flammability (solid, gas) no data available
j) Upper/lowerLower explosion limit: 9 %(V)
flammability or
explosive limits
k) Vapour pressure0,04 hPa at 25 °C
l) Vapour density6,01 - (Air = 1.0)
m) Relative density1,226 g/cm31,218 g/cm3
n) Water solubilityno data available
o) Partition coefficient: n-no data available
octanol/water
p) Autoignitionno 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.
Incompatible materials
Strong oxidizing agentsAlcohols, Strong bases, Amines, acids, 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 skin reaction.
Germ cell mutagenicity
no data available
Carcinogenicity
Limited evidence of carcinogenicity in animal studies
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
InhalationMay be fatal if inhaled. Causes respiratory tract irritation.
IngestionMay be harmful if swallowed.
SkinMay be harmful if absorbed through skin. Causes skin irritation.
EyesCauses serious eye irritation.
Signs and Symptoms of Exposure
burning sensation, Cough, wheezing, laryngitis, Shortness of breath, Headache, Nausea, Vomiting, spasm,
inflammation and edema of the larynx, spasm, inflammation and edema of the bronchi, pneumonitis,
pulmonary edema
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
Harmful to aquatic life.

Section13. DISPOSAL CONSIDERATIONS
Waste treatment methods
Product
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: 2078IMDG: 2078IATA: 2078
UN proper shipping name
ADR/RID: TOLUENE DIISOCYANATE
IMDG: TOLUENE DIISOCYANATE
IATA:Toluene diisocyanate
Transport hazard class(es)
ADR/RID: 6.1IMDG: 6.1IATA: 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

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


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

Hazard Codes T+
RIDADR UN 2078 6.1/PG 2
HS Code 2929109000

 Synthetic Route

~%

1-Isocyanato-4-(isocyanatomethyl)benzene Structure

1-Isocyanato-4-...

CAS#:99741-73-8

Literature: Siefken Justus Liebigs Annalen der Chemie, 1949 , vol. 562, p. 75,1114

 Precursor & DownStream

Precursor  2

DownStream  0

 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

Benzene,1-isocyanato-4-(isocyanatomethyl)
4-isocyanato-benzyl isocyanate
p-tolylene diisocyanate
4-Isocyanato-benzylisocyanat
Tolylendiisocyanat