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About This Item
Empirical Formula (Hill Notation):
C4H5N3O2
CAS Number:
Molecular Weight:
127.10
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Recommended Products
assay
95%
form
powder
mp
135 °C (dec.) (lit.)
storage temp.
2-8°C
SMILES string
Nc1n[nH]cc1C(O)=O
InChI
1S/C4H5N3O2/c5-3-2(4(8)9)1-6-7-3/h1H,(H,8,9)(H3,5,6,7)
InChI key
KMRVTZLKQPFHFS-UHFFFAOYSA-N
signalword
Warning
hcodes
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
Certificates of Analysis (COA)
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A J Dobson et al.
Acta crystallographica. Section C, Crystal structure communications, 54 ( Pt 2), 253-256 (1998-04-16)
3-Aminopyrazole-4-carboxylic acid, C4H5N3O2, crystallized in the non-centrosymmetric space group P21 in the zwitterionic form. Intermolecular N--H...O hydrogen bonds with N...O distances of 2.768 (2) and 2.747 (2) A link molecules into two sets of chains propagating along [110] and [110].
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