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Sigma-Aldrich

1,4,5,6-Tetrahydropyrimidine

97%

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Empirical Formula (Hill Notation):
C4H8N2
CAS Number:
Molecular Weight:
84.12
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Quality Level

Assay

97%

refractive index

n20/D 1.5194 (lit.)

bp

88-89 °C/1 mmHg (lit.)

density

1.024 g/mL at 25 °C (lit.)

SMILES string

C1CNC=NC1

InChI

1S/C4H8N2/c1-2-5-4-6-3-1/h4H,1-3H2,(H,5,6)

InChI key

VBXZSFNZVNDOPB-UHFFFAOYSA-N

General description

1,4,5,6-Tetrahydropyrimidine (THP) is a cyclic amidine and has been known to be carbon dioxide fixation agent. It reacts with carbon dioxide to yield a zwitterionic adduct (THP-CO2).

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

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

Target Organs

Respiratory system

WGK

WGK 3

Flash Point(F)

235.4 °F

Flash Point(C)

113 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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Peter R Edwards et al.
Organic & biomolecular chemistry, 8(1), 100-106 (2009-12-22)
The interactions of a series of urea based neutral hydrogen bond donor anion receptors have been investigated with i) alkylcarbamate anions formed by the reaction of carbon dioxide with primary aliphatic amines and ii) the zwitterionic species formed by the
Bob Storey et al.
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