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A77407

Sigma-Aldrich

3-Amino-4-pyrazolecarboxylic acid

95%

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About This Item

Empirical Formula (Hill Notation):
C4H5N3O2
CAS Number:
41680-34-6
Molecular Weight:
127.10
EC Number:
255-493-7
MDL number:
MFCD00005239
UNSPSC Code:
12352100
PubChem Substance ID:
24891271
NACRES:
NA.22

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

Related Categories

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
BGBC5803V
MKBL6880V
MKBD5848
03430EJ
20904CA

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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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