111-36-4

Name Butyl isocyanate
CAS 111-36-4
EINECS(EC#) 203-862-8
Molecular Formula C5H9NO
MDL Number MFCD00002046
Molecular Weight 99.13
MOL File 111-36-4.mol

Chemical Properties

Appearance Colorless to faintly yellow liquid
Melting point  85.5℃
Boiling point  115 °C(lit.)
density  0.88 g/mL at 25 °C(lit.)
vapor density  3 (vs air)
vapor pressure  10.6 mm Hg ( 20 °C)
refractive index  n20/D 1.406(lit.)
Fp  64 °F
storage temp.  2-8°C
form  Liquid
color  Colorless
explosive limit 1.3-10% (v/v)
Sensitive  Moisture Sensitive
Merck  13,1574
BRN  773917
Exposure limits No exposure limit is set for this compound. On the basis of its low inhalation toxicity, a TLV-TWA value of 8 mg/m3 (2 ppm) can be safely ascribed.
InChIKey HNHVTXYLRVGMHD-UHFFFAOYSA-N
CAS DataBase Reference 111-36-4(CAS DataBase Reference)
NIST Chemistry Reference Butane, 1-isocyanato-(111-36-4)
EPA Substance Registry System 111-36-4(EPA Substance)

Safety Data

Symbol(GHS)  Flame (GHS02)Corrosion (GHS05)Skull and Crossbones (GHS06)Health Hazard (GHS08)
GHS02,GHS05,GHS06,GHS08
Signal word  Danger
Hazard statements  H225-H302-H314-H317-H330-H334-H412
Precautionary statements  P210-P273-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
Hazard Codes  F,T+
Risk Statements 
R11:Highly Flammable.
R21/22:Harmful in contact with skin and if swallowed .
R26:Very Toxic by inhalation.
R34:Causes burns.
R37:Irritating to the respiratory system.
R42/43:May cause sensitization by inhalation and skin contact .
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 .
S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) .
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) .
RIDADR  UN 2485 6.1/PG 1
WGK Germany  1
RTECS  NQ8250000
F  10-19-21
Autoignition Temperature 425°C
TSCA  Yes
REACH Registrations Active
HazardClass  6.1(a)
PackingGroup  I
HS Code  29291090
Storage Class 3 - Flammable liquids
Hazard Classifications Acute Tox. 1 Inhalation
Acute Tox. 4 Oral
Aquatic Chronic 3
Eye Dam. 1
Flam. Liq. 2
Resp. Sens. 1
Skin Corr. 1B
Skin Sens. 1
Safety Profile
A poison by ingestion and intravenous routes. Mddly toxic by inhalation. A powerful irritant to eyes, skin, and mucous membranes. A flammable liquid. See also CYANATES and NITROGEN MONOXIDE.
Hazardous Substances Data 111-36-4(Hazardous Substances Data)
Toxicity
LC50 (4hr) in male, female rats (mg/m3): 60, 55 by inhalation (Pauluhn, Eben)

Hazard Information

Material Safety Data Sheet(MSDS)

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