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B153

Sigma-Aldrich

BIT

Synonym(s):

1-[2-(N,N-Diethylamino)ethyl]-2-(4-ethoxybenzyl)benzimidazole-5-isothiocyanate, Etonitazenyl isothiocyanate

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About This Item

Empirical Formula (Hill Notation):
C23H28N4OS
CAS Number:
85951-65-1
Molecular Weight:
408.56
MDL number:
MFCD09971015
UNSPSC Code:
12352100
PubChem Substance ID:
329773190
NACRES:
NA.22

form

solid

mp

64-66 °C

storage temp.

−20°C

SMILES string

CCOc1ccc(Cc2nc3cc(ccc3n2CCN(CC)CC)N=C=S)cc1

InChI

1S/C23H28N4OS/c1-4-26(5-2)13-14-27-22-12-9-19(24-17-29)16-21(22)25-23(27)15-18-7-10-20(11-8-18)28-6-3/h7-12,16H,4-6,13-15H2,1-3H3

InChI key

QIIKEXXYYPDZHL-UHFFFAOYSA-N

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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