4404-45-9

Name HEXYL ISOTHIOCYANATE
CAS 4404-45-9
EINECS(EC#) 224-549-2
Molecular Formula C7H13NS
MDL Number MFCD00014445
Molecular Weight 143.25
MOL File 4404-45-9.mol
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Chemical Properties

Melting point  83 °C
Boiling point  136-138 °C/96 mmHg (lit.)
density  0.933 g/mL at 25 °C(lit.)
FEMA  4422 | HEXYL ISOTHIOCYANATE
refractive index  n20/D 1.491(lit.)
Fp  195 °F
storage temp.  RT, stored under nitrogen
Appearance Colorless to light yellow Liquid
Odor sharp green
Odor Type green
Sensitive  Moisture Sensitive
JECFA Number 1895
BRN  1751837
InChI InChI=1S/C7H13NS/c1-2-3-4-5-6-8-7-9/h2-6H2,1H3
InChIKey WXYAXKKXIGHXDS-UHFFFAOYSA-N
SMILES C(N=C=S)CCCCC
LogP 3.60
CAS DataBase Reference 4404-45-9(CAS DataBase Reference)

Safety Data

Hazard Codes  T
Risk Statements 
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
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) .
RIDADR  2810
WGK Germany  3
F  10-21
HazardClass  6.1
PackingGroup  III
HS Code  29309090
Storage Class 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
Hazard Classifications Acute Tox. 3 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

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