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4-CYANOPYRAZOLE

4-CYANOPYRAZOLE structure

CAS No:
31108-57-3
Formula:
C4H3N3
Chemical Name:
4-CYANOPYRAZOLE
Synonyms:
1H-Pyrazole-4-carbonitrile 98%;4-CYANOPYRAZOLE;4-Pyrazolecarbonitrile;4-CYANOPYRAZOLE 97%;4-Cyano-1H-pyrazole;Pyrazole-4-carbonitrile;1H-Pyrazole-4-carbonitrile;1H-Pyrazole-4-carbonitrle
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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4-CYANOPYRAZOLE Basic Attributes

Molecular Weight：

93.09

Exact Mass：

93.032697108 g/mol

DSSTox ID：

DTXSID90340402

HScode：

2933199090

Characteristics

PSA：

52.47000

XLogP3：

0.28138

Density：

1.28±0.1 g/cm3

Boiling Point：

317.4±15.0 °C(Predicted)

Flash Point：

114ºC

Refractive Index：

1.551

PKA：

10.30±0.50

Safety Information

wgk germany：

hazard class code：

Marks：

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 40 companies from 2 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:93.09
XLogP3:0.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:93.032697108
Monoisotopic Mass:93.032697108
Topological Polar Surface Area:52.5
Heavy Atom Count:7
Complexity:101
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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31108-57-3

CAS No.: 31108-57-3

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CAS No.: 31108-57-3

Content: 98%

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