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Butanoic acid, 2-nitro-, ethyl ester

Butanoic acid, 2-nitro-, ethyl ester structure

CAS No:
2531-81-9
Formula:
C6H11NO4
Chemical Name:
Butanoic acid, 2-nitro-, ethyl ester
Synonyms:
Butanoic acid,2-nitro-,ethyl ester;Butyric acid,2-nitro-,ethyl ester;Ethyl 2-nitrobutyrate;Ethyl α-nitrobutyrate;Ethyl 2-nitrobutanoate

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Butanoic acid, 2-nitro-, ethyl ester Basic Attributes

Molecular Weight：

161.15600

Exact Mass：

161.16

DSSTox ID：

DTXSID80395345

HScode：

2915900090

Characteristics

PSA：

72.12000

XLogP3：

1.12800

Density：

1.0999 g/cm³ @ Temp: 20 °C

Boiling Point：

50-52 °C @ Press: 0.5 Torr

Flash Point：

186 °F

Refractive Index：

n20/D 1.423(lit.)

Vapor Pressure：

0.185mmHg at 25°C

Safety Information

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36/37/39

Marks：

Xi: Irritant;

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, 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:161.16
XLogP3:1.4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:161.06880783
Monoisotopic Mass:161.06880783
Topological Polar Surface Area:72.1
Heavy Atom Count:11
Complexity:151
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Butanoic acid, 2-nitro-, ethyl ester

Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

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