5-amino-4-cyano-3-cyanomethyl-1-phenylpyrazole

Modify Date: 2024-01-19 20:09:49

5-amino-4-cyano-3-cyanomethyl-1-phenylpyrazole Structure
5-amino-4-cyano-3-cyanomethyl-1-phenylpyrazole structure
Common Name 5-amino-4-cyano-3-cyanomethyl-1-phenylpyrazole
CAS Number 7152-40-1 Molecular Weight 223.23300
Density 1.27g/cm3 Boiling Point 486.8ºC at 760 mmHg
Molecular Formula C12H9N5 Melting Point 164-165°C
MSDS N/A Flash Point 248.2ºC

 Names

Name 5-amino-3-(cyanomethyl)-1-phenylpyrazole-4-carbonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.27g/cm3
Boiling Point 486.8ºC at 760 mmHg
Melting Point 164-165°C
Molecular Formula C12H9N5
Molecular Weight 223.23300
Flash Point 248.2ºC
Exact Mass 223.08600
PSA 91.42000
LogP 1.97346
Index of Refraction 1.673

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UQ6260000
CHEMICAL NAME :
4-Pyrazolecarbonitrile, 5-amino-3-cyanomethyl-1-phenyl-
CAS REGISTRY NUMBER :
7152-40-1
BEILSTEIN REFERENCE NO. :
0217441
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C12-H9-N5
MOLECULAR WEIGHT :
223.26
WISWESSER LINE NOTATION :
T5NNJ AR& C1CN DCN EZ

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 :
10 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#00799

 Safety Information

Hazard Codes Xn:Harmful;
Risk Phrases R20/21/22
Safety Phrases S22-S36/37-S45-S36/37/39-S28-S27
RIDADR 3276
RTECS UQ6260000
Packaging Group III
Hazard Class 6.1
HS Code 2933199090

 Synthetic Route

~41%

5-amino-4-cyano-3-cyanomethyl-1-phenylpyrazole Structure

5-amino-4-cyano...

CAS#:7152-40-1

Literature: Smyth, Lynette A.; Matthews, Thomas P.; Horton, Peter N.; Hursthouse, Michael. B.; Collins, Ian Tetrahedron, 2007 , vol. 63, # 39 p. 9627 - 9634

~%

5-amino-4-cyano-3-cyanomethyl-1-phenylpyrazole Structure

5-amino-4-cyano...

CAS#:7152-40-1

Literature: Journal of the American Chemical Society, , vol. 81, p. 2452,2455 Journal of Organic Chemistry, , vol. 24, p. 963,965 Journal of the American Chemical Society, , vol. 80, p. 2838

~%

5-amino-4-cyano-3-cyanomethyl-1-phenylpyrazole Structure

5-amino-4-cyano...

CAS#:7152-40-1

Literature: Journal of the American Chemical Society, , vol. 81, p. 2452,2455 Journal of Organic Chemistry, , vol. 24, p. 963,965

 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%

 Synonyms

5-Amino-4-cyano-1-phenyl-3-pyrazoleacetonitrile
4-Pyrazolecarbonitrile,5-amino-3-cyanomethyl-1-phenyl
5-amino-3-cyanomethyl-1-phenylpyrazolecarbonitrile
1H-Pyrazole-3-acetonitrile,5-amino-4-cyano-1-phenyl
5-amino-4-cyano-3-cyanomethyl-1-phenylpyrazole
EINECS 230-496-6
5-amino-4-cyano-1-phenyl-1H-pyrazole-3-acetonitrile
MFCD00020729
1-Phenyl-3-cyanomethyl-4-cyano-5-aminopyrazole