4430-45-9

Name OCTYL ISOTHIOCYANATE
CAS 4430-45-9
EINECS(EC#) 224-625-5
Molecular Formula C9H17NS
MDL Number MFCD00041139
Molecular Weight 171.3
MOL File 4430-45-9.mol

Chemical Properties

Appearance clear yellow liquid
Boiling point  125 °C (7 mmHg)
density  0.88
refractive index  1.49
Fp  94 °C
form  clear liquid
color  Colorless to Light yellow
Specific Gravity 0.91
Water Solubility  It hydrolyzes in water.
Sensitive  Moisture Sensitive
λmax 245nm(Dioxane)(lit.)
BRN  1760783
InChI 1S/C9H17NS/c1-2-3-4-5-6-7-8-10-9-11/h2-8H2,1H3
InChIKey YEZHGQZHWKJPCM-UHFFFAOYSA-N
SMILES CCCCCCCCN=C=S
LogP 4.700 (est)
CAS DataBase Reference 4430-45-9(CAS DataBase Reference)

Safety Data

Hazard Codes  Xn
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
Safety Statements 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
RIDADR  2810
WGK Germany  WGK 3
HS Code  2930.90.9250
HazardClass  8
PackingGroup  III
Storage Class 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
Hazard Classifications Acute Tox. 3 Oral
Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Skin Corr. 1B

Hazard Information

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