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ethyl2-nitrohexanoate

ethyl2-nitrohexanoate structure

CAS No:
4447-54-5
Formula:
C8H15NO4
Chemical Name:
ethyl2-nitrohexanoate
Synonyms:
ethyl 2-nitrohexanoate;Ethyl a-nitrocaproate;NSC3649;2-Nitrohexanoic acid ethyl ester;CTK1D8592;DTXSID50277705;NSC-3649;AKOS024340646;MCULE-7570539819;J3.572.228I

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ethyl2-nitrohexanoate Basic Attributes

Molecular Weight：

189.211

Exact Mass：

189.1

NSC Number：

3649

DSSTox ID：

DTXSID50277705

HScode：

2915900090

Characteristics

PSA：

72.1

XLogP3：

2.3

Density：

1.067g/cm3

Boiling Point：

249.3ºC at 760mmHg

Flash Point：

96ºC

Refractive Index：

1.441

Safety Information

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:189.21
XLogP3:2.3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:189.10010796
Monoisotopic Mass:189.10010796
Topological Polar Surface Area:72.1
Heavy Atom Count:13
Complexity:176
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ethyl2-nitrohexanoate

Basic Attributes
Characteristics
Safety Information
Computed Properties

ethyl2-nitrohexanoate

SDS

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