Home Categories Chemical Reagents Phenyl isothiocyanate
A6698512

Phenyl isothiocyanate , 99%, used for HPLC mark , 103-72-0

Synonym(s):
Isothiocyanic acid phenyl ester, PTC;Phenyl isothiocyanate;PITC

CAS NO.:103-72-0

Empirical Formula: C7H5NS

Molecular Weight: 135.19

MDL number: MFCD00004798

EINECS: 203-138-1

Update time: 2022-07-08

PRODUCT Properties

Melting point: −21 °C(lit.)
Boiling point: 218 °C(lit.)
Density  1.132 g/mL at 20 °C(lit.)
vapor pressure  10 hPa (20 °C)
refractive index  n20/D 1.6515(lit.)
Flash point: 190 °F
storage temp.  2-8°C
solubility  water: insoluble
form  liquid
color  Clear pale yellow to yellow
Specific Gravity 1.137 (20/4℃)
Water Solubility  Soluble in alcohol, and ether. Insoluble in water.
Sensitive  Moisture Sensitive
Merck  14,7297
BRN  471392
Dielectric constant 10.7(20℃)
Stability: Stable. Combustible. Incompatible with strong oxidizing agents, strong acids.
InChIKey QKFJKGMPGYROCL-UHFFFAOYSA-N
LogP 3.280

Description and Uses

Phenyl isothiocyanate is the reagent of choice in automated Edman degradation systems. However, this reagent is highly toxic and for manual modification other reagents are preferred such as dimethy laminoazobenzene isothiocyanate (Chang, 1983; Wang et al, 2000) or trifluoroethyl isothiocyanate (Bartlet-Jones et al, 1994). This last reagent has the advantage of being volatile, so that the excess of reagent is easily removed by vacuum before MS analysis (Spengler, 1997). This compound was used successfully during seven successive cycles of manual cleavage coupled with MS analysis. Nevertheless, the high reactivity of such compounds seems to shows artefactual modification such as“acetylation' of the hydroxyl groups of the Ser and Thr. Allyl isothiocyanate shows better selectivity, but again this reagent is toxic and difficult to use in manual approaches (Gu & Preswich, 1997) .

Safety

Symbol(GHS) 
GHS05,GHS06,GHS08
Signal word  Danger
Hazard statements  H301-H314-H317-H334
Precautionary statements  P261-P270-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
Hazard Codes  T,N,Xn,F
Risk Statements  25-34-42/43-51/53-67-65-50/53-36/37/38-22-11-38-63-23/24/25-36/38
Safety Statements  9-16-29-33-60-61-62-36-26-23-45-36/37/39-38-28A-36/37
RIDADR  UN 1993 3/PG 2
WGK Germany  3
RTECS  NX9275000
19
TSCA  Yes
HS Code  2930 90 98
HazardClass  6.1
PackingGroup  II
Toxicity LD50 orally in Rabbit: 157 mg/kg

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