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2257-09-2

Name Phenylethyl isothiocyanate
CAS 2257-09-2
EINECS(EC#) 218-855-5
Molecular Formula C9H9NS
MDL Number MFCD00004821
Molecular Weight 163.24
MOL File 2257-09-2.mol

Chemical Properties

Appearance Light Yellow Liquid
Melting point  143~145℃
Boiling point  75 °C0.25 mm Hg
density  1.094 g/mL at 25 °C(lit.)
FEMA  4014
refractive index  n20/D 1.5888(lit.)
Fp  >230 °F
storage temp.  2-8°C
solubility  DMF: 30 mg/ml,DMSO: 30 mg/ml,Ethanol: 30 mg/ml
form  Liquid
color  Clear colorless to yellow
Specific Gravity 1.09
Odor at 0.01 % in propylene glycol. green horseradish gooseberry watercress
Odor Type sulfurous
Water Solubility  insoluble
Sensitive  Moisture Sensitive
JECFA Number 1563
Merck  7226
BRN  2084162
InChIKey IZJDOKYDEWTZSO-UHFFFAOYSA-N
LogP 3.47
CAS DataBase Reference 2257-09-2(CAS DataBase Reference)
NIST Chemistry Reference Benzene, (2-isothiocyanatoethyl)-(2257-09-2)
Storage Precautions Store under nitrogen;Moisture sensitive
EPA Substance Registry System 2257-09-2(EPA Substance)

Safety Data

Hazard Codes  Xn
Risk Statements 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
R42:May cause sensitization by inhalation.
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 .
S36:Wear suitable protective clothing .
S36/37:Wear suitable protective clothing and gloves .
RIDADR  UN 2206 6.1/PG 3
WGK Germany  3
RTECS  NX9115000
10-23
TSCA  Yes
HazardClass  8
PackingGroup  III
HS Code  29309090
Toxicity
LD50 in mice (mg/kg): 700 orally; 150 s.c.; 50 i.v. (Lichtenstein)

Hazard Information

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