3-Amino-4-pyrazolecarboxylic acid

Names

[ Name ]:
3-Amino-4-pyrazolecarboxylic acid

[Synonym ]:
3-Amino-1H-pyrazole-4-carboxylic acid
1H-Pyrazole-4-carboxylic acid, 3-amino-
3-Amino-4-pyrazolecarboxylic acid
EINECS 255-493-7
3-Aminopyrazole-4-carboxylic acid
MFCD00005239

Chemical & Physical Properties

[ Density]:
1.7±0.1 g/cm3

[ Boiling Point ]:
502.7±35.0 °C at 760 mmHg

[ Melting Point ]:
135 °C (dec.)(lit.)

[ Molecular Formula ]:
C₄H₅N₃O₂

[ Molecular Weight ]:
127.101

[ Flash Point ]:
257.8±25.9 °C

[ Exact Mass ]:
127.038177

[ PSA ]:
92.00000

[ LogP ]:
0.40

[ Vapour Pressure ]:
0.0±1.4 mmHg at 25°C

[ Index of Refraction ]:
1.720

[ Storage condition ]:
Refrigerator (+4°C)

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UQ6390000

CHEMICAL NAME :: 4-Pyrazolecarboxylic acid, 3-amino-

CAS REGISTRY NUMBER :: 41680-34-6

LAST UPDATED :: 199206

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C4-H5-N3-O2

MOLECULAR WEIGHT :: 127.12

WISWESSER LINE NOTATION :: T5MNJ CZ DVQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 180 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#04843

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H315-H319-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xi: Irritant;

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S26-S37/39

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
UQ6390000

[ HS Code ]:
2933199090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2933199090

[ Summary ]:
2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Articles

Complex network of hydrogen bonds in 3-aminopyrazole-4-carboxylic acid.

Acta Crystallogr. C 54 ( Pt 2) , 253-6, (1998)

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) ...