110-78-1

Name Propyl isocyanate
CAS 110-78-1
EINECS(EC#) 203-803-6
Molecular Formula C4H7NO
MDL Number MFCD00002045
Molecular Weight 85.1
MOL File 110-78-1.mol
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Chemical Properties

Appearance clear yellow liquid
Melting point  -30 °C
Boiling point  83-84 °C(lit.)
density  0.908 g/mL at 25 °C(lit.)
refractive index  n20/D 1.394(lit.)
Fp  32 °F
storage temp.  Flammables area
form  Liquid
color  Clear yellow
Water Solubility  reacts vigorously
BRN  1098489
InChI InChI=1S/C4H7NO/c1-2-3-5-4-6/h2-3H2,1H3
InChIKey OQURWGJAWSLGQG-UHFFFAOYSA-N
SMILES C(N=C=O)CC
CAS DataBase Reference 110-78-1(CAS DataBase Reference)
NIST Chemistry Reference Propane, 1-isocyanato-(110-78-1)
EPA Substance Registry System 110-78-1(EPA Substance)

Safety Data

Hazard Codes  F,Xn,T+
Risk Statements 
R11:Highly Flammable.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R37/38:Irritating to respiratory system and skin .
R41:Risk of serious damage to eyes.
R42/43:May cause sensitization by inhalation and skin contact .
R42:May cause sensitization by inhalation.
R34:Causes burns.
R26:Very Toxic by inhalation.
R22:Harmful if swallowed.
R14:Reacts violently with water.
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 .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S38:In case of insufficient ventilation, wear suitable respiratory equipment .
S16:Keep away from sources of ignition-No smoking .
RIDADR  UN 2482 6.1/PG 1
WGK Germany  1
RTECS  NR0190000
F  19
TSCA  TSCA listed
HazardClass  6.1(a)
PackingGroup  I
HS Code  29291090
Storage Class 3 - Flammable liquids
Hazard Classifications Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Dam. 1
Flam. Liq. 2
Resp. Sens. 1
Skin Irrit. 2
Skin Sens. 1
STOT SE 3
Safety Profile
Poison by intravenous route. A flammable liquid when exposed to heat or flame, can react vigorously with oxidzing materials. When heated to decomposition it emits toxic fumes of NOx. See also ISOCYANATES.

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