5-Amino-4-cyano-3-(cyanomethyl)pyrazole

Modify Date: 2026-07-06 18:55:07

5-Amino-4-cyano-3-(cyanomethyl)pyrazole structure	Common Name	5-Amino-4-cyano-3-(cyanomethyl)pyrazole
	CAS Number	54711-21-6	Molecular Weight	147.13700
	Density	1.43 g/cm3	Boiling Point	520.9ºC at 760 mmHg
	Molecular Formula	C₆H₅N₅	Melting Point	198-200°C
	MSDS	N/A	Flash Point	268.8ºC

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name	5-Amino-4-cyano-3-(cyanomethyl)pyrazole
Synonym	More Synonyms

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density	1.43 g/cm3
Boiling Point	520.9ºC at 760 mmHg
Melting Point	198-200°C
Molecular Formula	C₆H₅N₅
Molecular Weight	147.13700
Flash Point	268.8ºC
Exact Mass	147.05400
PSA	102.28000
LogP	0.51086
Index of Refraction	1.617
InChIKey	GSXISOIYTHIBLC-UHFFFAOYSA-N
SMILES	N#CCc1[nH]nc(N)c1C#N

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UQ6250000

CHEMICAL NAME :: 4-Pyrazolecarbonitrile, 5-amino-3-cyanomethyl-

CAS REGISTRY NUMBER :: 54711-21-6

LAST UPDATED :: 197901

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C6-H5-N5

MOLECULAR WEIGHT :: 147.16

WISWESSER LINE NOTATION :: T5MNJ 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 :: 100 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#00798

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Hazard Codes	Xi
Risk Phrases	R23/24/25
Safety Phrases	S26-S36
RIDADR	3276
HS Code	2933199090

This table lists upstream starting materials and downstream derivative products related to this chemical.

Precursor 4
CAS#:868-54-2 Tricyanoaminopropene CAS#:109-77-3 Malononitrile CAS#:7803-57-8 Hydrazine hydrate CAS#:64-17-5 Ethanol
DownStream 5
CAS#:23244-84-0 1H-Pyrazole-3-a... CAS#:174891-10-2 1H-pyrazole-3-a... CAS#:120581-76-2 1H-Pyrazolo[4,3... CAS#:5466-67-1 4-bromo-N-[(E)-...
CAS#:6975-46-8 Pyrazolo[1,5-a]...

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

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%

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

EINECS 259-299-3

3-amino-5-(cyanomethyl)-1H-pyrazole-4-carbonitrile

MFCD00022387

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the molecular weight of 5-Amino-4-cyano-3-(cyanomethyl)pyrazole?

A: Molecular weight of 5-Amino-4-cyano-3-(cyanomethyl)pyrazole is 147.13700.

Q: What is the LogP of 5-Amino-4-cyano-3-(cyanomethyl)pyrazole?

A: LogP of 5-Amino-4-cyano-3-(cyanomethyl)pyrazole is 0.51086.

Q: What are the downstream products of 5-Amino-4-cyano-3-(cyanomethyl)pyrazole?

A: Related downstream products(CAS) of 5-Amino-4-cyano-3-(cyanomethyl)pyrazole: 23244-84-0;174891-10-2;120581-76-2;5466-67-1;6975-46-8.

Q: What is the boiling point of 5-Amino-4-cyano-3-(cyanomethyl)pyrazole?

A: Boiling point of 5-Amino-4-cyano-3-(cyanomethyl)pyrazole is 520.9ºC at 760 mmHg.

Q: What is the safety information for 5-Amino-4-cyano-3-(cyanomethyl)pyrazole?

A: Safety information for 5-Amino-4-cyano-3-(cyanomethyl)pyrazole: S26-S36.

Q: What is the SMILES notation of 5-Amino-4-cyano-3-(cyanomethyl)pyrazole?

A: SMILES notation of 5-Amino-4-cyano-3-(cyanomethyl)pyrazole is N#CCc1[nH]nc(N)c1C#N.

Q: What is the polar surface area (PSA) of 5-Amino-4-cyano-3-(cyanomethyl)pyrazole?

A: Polar surface area (PSA) of 5-Amino-4-cyano-3-(cyanomethyl)pyrazole is 102.28000.

Q: What is the molecular formula of 5-Amino-4-cyano-3-(cyanomethyl)pyrazole?

A: Molecular formula of 5-Amino-4-cyano-3-(cyanomethyl)pyrazole is C6H5N5.

Q: What is the CAS number of 5-Amino-4-cyano-3-(cyanomethyl)pyrazole?

A: CAS number of 5-Amino-4-cyano-3-(cyanomethyl)pyrazole is 54711-21-6.

Q: What are the upstream materials of 5-Amino-4-cyano-3-(cyanomethyl)pyrazole?

A: Related upstream materials(CAS) of 5-Amino-4-cyano-3-(cyanomethyl)pyrazole: 868-54-2;109-77-3;7803-57-8;64-17-5.

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd

Dayang Chem (Hangzhou) Co., Ltd.

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Shanghai Nianxing Industrial Co., Ltd
China
Product Name: 5-Amino-4-cyano-3-(cyanomethyl)pyrazole
Price: Check
Purity: 97.0%
Delivery: 10 Day
Contact: Yang
Email: sales@echemcloud.com

Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 5-Amino-4-cyano-3-(cyanomethyl)pyrazole
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Delivery: Inquiry
Contact: Ms Wang
Email: enquiry@dycnchem.com

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The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.