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About This Item

Linear Formula:
C6H5NCS
CAS Number:
103-72-0
Molecular Weight:
135.19
Beilstein:
471392
EC Number:
203-138-1
MDL number:
MFCD00004798
UNSPSC Code:
12352100
PubChem Substance ID:
57648607
NACRES:
NA.21
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type

for protein sequencing

Quality Level

100

Assay

99%

form

liquid

refractive index

n20/D 1.6515 (lit.)

bp

218 °C (lit.)
221 °C

mp

−21 °C (lit.)

solubility

water: insoluble

density

1.132 g/mL at 20 °C (lit.)

functional group

isothiocyanate

storage temp.

2-8°C

SMILES string

S=C=Nc1ccccc1

InChI

1S/C7H5NS/c9-6-8-7-4-2-1-3-5-7/h1-5H

InChI key

QKFJKGMPGYROCL-UHFFFAOYSA-N

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Application

Derivatizing reagent for primary and secondary amines. Used in sequencing peptides by Edman degradation and in amino acid analyses by HPLC.
Used for derivatizing N-terminal amino acids of proteins for automated sequential analysis. Synthon for dithiadiazafulvalenes.

Signal Word

Danger

Hazard Statements

H301,H314,H317,H334

Hazard Classifications

Acute Tox. 3 Oral - Resp. Sens. 1 - Skin Corr. 1B - Skin Sens. 1

Storage Class Code

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

WGK

WGK 3

Flash Point(F)

190.4 °F - closed cup

Flash Point(C)

88 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKCQ9007
MKBX8793V
MKBR9947V
15507LI
14130MN

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