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366307

Sigma-Aldrich

cis-Octahydro-2H-benzimidazol-2-one

99%

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About This Item

Empirical Formula (Hill Notation):
C7H12N2O
CAS Number:
1123-97-3
Molecular Weight:
140.18
MDL number:
MFCD00134315
UNSPSC Code:
12352100
PubChem Substance ID:
24862640
NACRES:
NA.22

assay

99%

bp

218-220 °C/14 mmHg (lit.)

mp

149-152 °C (lit.)

SMILES string

[H][C@@]12CCCC[C@]1([H])NC(=O)N2

InChI

1S/C7H12N2O/c10-7-8-5-3-1-2-4-6(5)9-7/h5-6H,1-4H2,(H2,8,9,10)/t5-,6+

InChI key

RWIIUBCMPVZLBA-OLQVQODUSA-N

Application

cis-Octahydro-2H-benzimidazol-2-one may be used in the preparation of hemicyclohexyl-cucurbit[n]uril (hmcyCucn).

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
SHBJ0204
27896TMV
27896TM
62896MK
31296AK

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Solvent effect on pseudopolymorphism of hemicyclohexylcucurbit [6] uril.
Li Y, et al.
Crystal Growth & Design, 9(10), 4255-4257 (2009)

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