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3-Amino-5-(4-chlorophenyl)-1H-pyrazole-4-carbonitrile

3-Amino-5-(4-chlorophenyl)-1H-pyrazole-4-carbonitrile structure

CAS No:
42754-62-1
Formula:
C10H7ClN4
Chemical Name:
3-Amino-5-(4-chlorophenyl)-1H-pyrazole-4-carbonitrile
Synonyms:
1H-Pyrazole-4-carbonitrile,3-amino-5-(4-chlorophenyl)-;3-Amino-5-(4-chlorophenyl)-1H-pyrazole-4-carbonitrile;129852-35-3;58791-88-1;158077-89-5

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3-Amino-5-(4-chlorophenyl)-1H-pyrazole-4-carbonitrile Basic Attributes

Molecular Weight：

218.64

Exact Mass：

218.64

DSSTox ID：

DTXSID60379820

HScode：

2933199090

Characteristics

PSA：

78.5

XLogP3：

2.76518

Density：

1.48g/cm3

Melting Point：

218-220 °C @ Solvent: 1,4-Dioxane

Boiling Point：

554.7ºC at 760mmHg

Flash Point：

289.3ºC

Refractive Index：

1.688

Safety Information

Transport codes：

3276

hazard class code：

20/21/22-36/37/38

safety instructions：

26-36/37/39

Marks：

Xn:Harmful;

Computed Properties

Molecular Weight:218.64
XLogP3:2.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:218.0359239
Monoisotopic Mass:218.0359239
Topological Polar Surface Area:78.5
Heavy Atom Count:15
Complexity:266
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-Amino-5-(4-chlorophenyl)-1H-pyrazole-4-carbonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

3-Amino-5-(4-chlorophenyl)-1H-pyrazole-4-carbonitrile

SDS

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