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4-Isoxazolecarbonitrile,5-amino-(6CI,9CI)

4-Isoxazolecarbonitrile,5-amino-(6CI,9CI) structure

CAS No:
98027-17-9
Formula:
C4H3N3O
Chemical Name:
4-Isoxazolecarbonitrile,5-amino-(6CI,9CI)
Synonyms:
4-Isoxazolecarbonitrile,5-amino-(6CI,9CI);4-Isoxazolecarbonitrile,5-aMino-;5-Aminoisoxazole-4-carbonitrile ,97%;5-amino-4-isoxazolecarbonitrile(SALTDATA: FREE);5-Amino-4-cyanoisoxazole;NSC 220469

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4-Isoxazolecarbonitrile,5-amino-(6CI,9CI) Basic Attributes

Molecular Weight：

109.09

Exact Mass：

109.027611728 g/mol

NSC Number：

220469

DSSTox ID：

DTXSID10309975

Characteristics

PSA：

75.8 Å²

Density：

1.39±0.1 g/cm3

Boiling Point：

378.1±27.0 °C(Predicted)

PKA：

-4.03±0.50

Safety Information

hazard class code：

20/21/22

safety instructions：

36/37

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P311, P312, P321, P322, P330, P361, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:109.09
XLogP3:0.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Exact Mass:109.027611728
Monoisotopic Mass:109.027611728
Topological Polar Surface Area:75.8
Heavy Atom Count:8
Complexity:127
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: inosine; zinc acetate; acetic acid formula; formula for ammonia sulfate; cholinoid; peg 40 hydrogenated castor oil

Guide of 4-Isoxazolecarbonitrile,5-amino-(6CI,9CI)

Basic Attributes
Characteristics
Safety Information
Computed Properties

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