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2-Pyrazinecarbonitrile, 3-amino-6-(chloromethyl)-, 4-oxide

2-Pyrazinecarbonitrile, 3-amino-6-(chloromethyl)-, 4-oxide structure

CAS No:
40127-89-7
Formula:
C6H5ClN4O
Chemical Name:
2-Pyrazinecarbonitrile, 3-amino-6-(chloromethyl)-, 4-oxide
Synonyms:
2-Pyrazinecarbonitrile,3-amino-6-(chloromethyl)-,4-oxide;Pyrazinecarbonitrile,3-amino-6-(chloromethyl)-,4-oxide;2-Amino-3-cyano-5-chloromethylpyrazine 1-oxide;3-Amino-6-chloromethyl-2-(pyrazin-4-oxide)carbonitrile;2-Amino-5-(chloromethyl)pyrazine-3-carbonitrile 1-oxide;3-Amino-6-(chloromethyl)-2-pyrazinecarbonitrile 4-oxide
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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2-Pyrazinecarbonitrile, 3-amino-6-(chloromethyl)-, 4-oxide Basic Attributes

Molecular Weight：

184.58

Exact Mass：

184.58

EC Number：

254-799-8

HScode：

2933990090

Characteristics

PSA：

88.16000

XLogP3：

1.28398

Density：

1.588g/cm3

Melting Point：

144-146 °C(lit.)

Boiling Point：

594.424ºC at 760 mmHg

Flash Point：

313.297ºC

Refractive Index：

1.68

Water Solubility：

DMSO: soluble 100mg/mL, clear, brown

Storage Conditions：

-20°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

20/21/22-36/37/38

safety instructions：

26-36

Marks：

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302 + H312 + H332-H315-H319-H335

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:184.58
XLogP3:-0.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:184.0151885
Monoisotopic Mass:184.0151885
Topological Polar Surface Area:83.5
Heavy Atom Count:12
Complexity:324
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Latest News on 2-Pyrazinecarbonitrile, 3-amino-6-(chloromethyl)-, 4-oxide

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Guide of 2-Pyrazinecarbonitrile, 3-amino-6-(chloromethyl)-, 4-oxide

Basic Attributes
Characteristics
Safety Information
Computed Properties
Latest News
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2-Pyrazinecarbonitrile, 3-amino-6-(chloromethyl)-, 4-oxide

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