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1943-82-4

Name Phenethyl isocyanate
CAS 1943-82-4
EINECS(EC#) 413-080-0
Molecular Formula C9H9NO
MDL Number MFCD00037044
Molecular Weight 147.17
MOL File 1943-82-4.mol
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Chemical Properties

Appearance colorless to yellow liquid
Boiling point  210 °C(lit.)
density  1.063 g/mL at 25 °C(lit.)
refractive index  n20/D 1.522(lit.)
Fp  212 °F
solubility  Chloroform, Ethyl Acetate (Slightly)
form  Liquid
color  Colorless to yellow
Specific Gravity 1.063
Water Solubility  decomposes
Detection Methods GC,NMR
Stability: Moisture Sensitive
InChI InChI=1S/C9H9NO/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5H,6-7H2
InChIKey HACRKYQRZABURO-UHFFFAOYSA-N
SMILES C1(CCN=C=O)=CC=CC=C1
CAS DataBase Reference 1943-82-4(CAS DataBase Reference)
Storage Precautions Store under nitrogen;Moisture sensitive

Safety Data

Hazard Codes  T,C,N
Risk Statements 
R22:Harmful if swallowed.
R23:Toxic by inhalation.
R35:Causes severe burns.
R42/43:May cause sensitization by inhalation and skin contact .
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R25:Toxic if swallowed.
Safety Statements 
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S43:In case of fire, use ... (indicate in the space the precise type of fire-fighting equipment. If water increases the risk add-Never use water) .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
RIDADR  UN 2206 6.1/PG 3
WGK Germany  2
Hazard Note  Toxic/Corrosive
HazardClass  IRRITANT
PackingGroup  III
HS Code  29291090

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