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3-Amino-4-pyrazolecarbonitrile(CAS No. 16617-46-2)

3-Amino-4-pyrazolecarbonitrile C4H4N4 (cas 16617-46-2) Molecular Structure

16617-46-2 Structure

Identification and Related Records

【Name】
3-Amino-4-pyrazolecarbonitrile
【CAS Registry number】
16617-46-2
【Synonyms】
5-Amino-4-cyanopyrazole
5-Aminopyrazole-4-carbonitrile
3-Aminopyrazole-4-carbonitrile
3-Aminopyarazole-4-carbonitrile
3-Amino-1H-pyrazole-4-carbonitrile
3-Amino-4-cyanopyrazole
intermediate of Zaleplon
3(5)-Amino-4-Cyanopyrrazole
3-Amino-1H-4-cyanopyrazole
N-Ethyl-N-3-[(3-dimethylamino-1-oxo-2-propenyl)phenyl]acetamide
【EINECS(EC#)】
240-665-6
【Molecular Formula】
C4H4N4 (Products with the same molecular formula)
【Molecular Weight】
108.1
【Inchi】
InChI=1/C4H4N4/c5-1-3-2-7-8-4(3)6/h2H,(H3,6,7,8)
【InChIKey】
FFNKBQRKZRMYCL-UHFFFAOYSA-N
【Canonical SMILES】
C1=NNC(=C1C#N)N
【MOL File】
16617-46-2.mol

Chemical and Physical Properties

【Appearance】
Crystalline Solid
【Density】
1.42g/cm3
【Melting Point】
172-174℃
【Boiling Point】
476.37 °C at 760 mmHg
【Vapour】
0mmHg at 25°C
【Refractive Index】
1.621
【Flash Point】
476.37 °C at 760 mmHg
【Stability】
Stable at room temperature in closed containers under normal storage and handling conditions.
【HS Code】
29331990
【Storage temp】
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
【Computed Properties】
Molecular Weight:108.10136 [g/mol]
Molecular Formula:C4H4N4
XLogP3-AA:0.1
H-Bond Donor:2
H-Bond Acceptor:2
Rotatable Bond Count:0
Tautomer Count:5
Exact Mass:108.043596
MonoIsotopic Mass:108.043596
Topological Polar Surface Area:78.5
Heavy Atom Count:8
Formal Charge:0
Complexity:123
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Donor Count:2
Feature 3D Cation Count:1
Feature 3D Ring Count:1
Effective Rotor Count:0
Conformer Sampling RMSD:0.4
CID Conformer Count:1

Safety and Handling

【Hazard Codes】
Xn:Harmful
【Risk Statements】
R20/21
【Safety Statements 】
S23
【HazardClass】
6.1
【Safety】

Hazard Codes:?HarmfulXn,ToxicT
Risk Statements: 20/21/22-20/21-36/37/38
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.?
R20/21:Harmful by inhalation and in contact with skin.?
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 22-24/25-23-36-26
S22:Do not breathe dust.?
S24/25:Avoid contact with skin and eyes.?
S23:Do not breathe vapour.?
S36:Wear suitable protective clothing.?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
RIDADR: 3439
WGK Germany: 3
F: 10
HazardClass: 6.1
PackingGroup: III
HS Code: 29331990

【PackingGroup 】
III
【Transport】
3439
【Specification】

? 3-Amino-4-pyrazolecarbonitrile , with CAS number of 16617-46-2, can be called 1H-pyrazole-4-carbonitrile, 3-amino- ; 5-Amino-1H-pyrazole-4-carbonitrile ; 3-Amino-1H-pyrazole-4-carbonitrile . It is a?crystalline solid and be?a useful synthetic intermediate.

Use and Manufacturing

【Usage】

A useful synthetic intermediate

Supplier Location

Top Suppliers

Diamond member Nanjing Bangnuo Biotechnology Co., Ltd.
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-25-52113793
Diamond member Shanghai Do Chemical Co.,Ltd
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Telephone:86-21-33758180
Diamond member Hangzhou Dayangchem Co., Ltd.
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Telephone:86-571-88938639
Diamond member Hubei XinRunde Chemical Co., Ltd
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Telephone:86-27-83214668
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Country:ChinaChina
Business Type:Trading Company
Telephone:86-312-18103315327
Diamond member FORT ST BIOLOGICAL TECHNOLOGY LIMITED
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Business Type:Trading Company
Telephone:86-311-13263231263
Diamond member Hangzhou J&H Chemical Co., Ltd
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Telephone:86-571-87396430
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Telephone:86-311-66600578
Diamond member Jinlan Pharm-Drugs Technology Co., Limited
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Business Type:Manufacturer
Telephone:86-571-85829152
Diamond member Nanjing Chemlin Chemical Co., Ltd.
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-25-83697070

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