3-Amino-4-pyrazolecarboxylic acid

Modify Date: 2025-08-26 11:57:11

3-Amino-4-pyrazolecarboxylic acid Structure
3-Amino-4-pyrazolecarboxylic acid structure
Common Name 3-Amino-4-pyrazolecarboxylic acid
CAS Number 41680-34-6 Molecular Weight 127.101
Density 1.7±0.1 g/cm3 Boiling Point 502.7±35.0 °C at 760 mmHg
Molecular Formula C4H5N3O2 Melting Point 135 °C (dec.)(lit.)
MSDS Chinese USA Flash Point 257.8±25.9 °C
Symbol GHS07
GHS07
Signal Word Warning

 Names

Name 3-Amino-1H-pyrazole-4-carboxylic acid
Synonym More Synonyms

 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
InChIKey KMRVTZLKQPFHFS-UHFFFAOYSA-N
SMILES Nc1[nH]ncc1C(=O)O
Storage condition Refrigerator (+4°C)

 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
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

~%

3-Amino-4-pyrazolecarboxylic acid Structure

3-Amino-4-pyraz...

CAS#:41680-34-6

Literature: Schmidt; Druey Helvetica Chimica Acta, 1956 , vol. 39, p. 986,988

 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%

 Articles1

More 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) ...

 Synonyms

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
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