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Merck
CN

15400

4-(Boc-aminomethyl)phenyl isothiocyanate

≥98.0% (HPLC)

Synonym(s):

4-(N-tert-Butoxycarbonylaminomethyl)phenyl isothiocyanate, tert-Butyl N-(4-isothiocyanatophenylmethyl)carbamate, BAMPITC, N-Boc-4-isothiocyanatobenzylamine

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About This Item

Empirical Formula (Hill Notation):
C13H16N2O2S
CAS Number:
89631-74-3
Molecular Weight:
264.34
PubChem Substance ID:
57647410
UNSPSC Code:
12352200
Beilstein/REAXYS Number:
9557243
MDL number:
MFCD00077918

Key Documents

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SMILES string

CC(C)(C)OC(=O)NCc1ccc(cc1)N=C=S

InChI

1S/C13H16N2O2S/c1-13(2,3)17-12(16)14-8-10-4-6-11(7-5-10)15-9-18/h4-7H,8H2,1-3H3,(H,14,16)

InChI key

FZQIQTXXAATZOS-UHFFFAOYSA-N

assay

≥98.0% (HPLC)

mp

111-113 °C

Other Notes

Novel protein micro sequencing reagent with a masked amino group which renders the thiohydantoin upon deblocking susceptible to fluorogenic detection.; A 2.5- to 10-fold increase in sensitivity over the most commonly used detection methods was observed (UV-detection at 254 nm)

pictograms

Health hazardExclamation mark
GHS08,GHS07

signalword

Danger

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
047677/1
061036/1
61036/1
47677/1

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J.J. L'Italien et al.
Journal of Chromatography A, 283, 149-149 (1984)
Z. Palacz et al.
Febs Letters, 176, 365-365 (1984)

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