1,3-dimethyl-4-nitro-1H-pyrazole-5-carbonitrile

HCID 96507
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Basic information

CAS
32183-13-4
Standard SMILES
Cc1nn(C)c(C#N)c1[N+](=O)[O-]
InChIKey
HYSDHMFCQHHFGV-UHFFFAOYSA-N
Molecular formula
C6H6N4O2
Average molar mass
166.14 g/mol
Monoisotopic mass
166.04907543

Names & identifiers

Preferred name
1,3-dimethyl-4-nitro-1H-pyrazole-5-carbonitrile
IUPAC
1,3-dimethyl-4-nitropyrazole-5-carbonitrile
English name
1,3-dimethyl-4-nitro-1H-pyrazole-5-carbonitrile
Molecular formula
C6H6N4O2
Molecular weight
166.14

Names & synonyms

1,3-Dimethyl-4-nitro-1H-pyrazole-5-carbonitrile32183-13-4EINECS 250-946-5DTXSID40185961NSC 77082RefChem:72714DTXCID80108452250-946-52,5-dimethyl-4-nitropyrazole-3-carbonitrileNSC-77082NSC770821,3-Dimethyl-4-nitro-5-cyano-pyrazole
Show more names
XWW7MD9ZRU1H-Pyrazole-5-carbonitrile, 1,3-dimethyl-4-nitro-SCHEMBL10871178HBA183135-cyano-1,3-dimethyl-4-nitropyrazoleDB-2591811,3-dimethyl-4-nitropyrazole-5-carbonitrileNS00029231

Database identifiers

CAS
32183-13-4
PubChem CID
96507
DTXSID
DTXSID40185961
UNII
XWW7MD9ZRU
EC Number
250-946-5
Nikkaji
J278.244H

Properties

Computed structural properties

XLogP
0.5
Topological polar surface area
87.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
0
Heavy atoms
12

Physicochemical properties

Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
280 · P280-P305+P351+P338

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Suppliers2 total

上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]

Related reactions

7 records
New reaction record

Compound notes

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