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p-Nitrophenyl butyrate

p-Nitrophenyl butyrate structure

CAS No:
2635-84-9
Formula:
C10H11NO4
Chemical Name:
p-Nitrophenyl butyrate
Synonyms:
Butanoic acid,4-nitrophenyl ester;Butyric acid,p-nitrophenyl ester;p-Nitrophenol butyrate;p-Nitrophenyl butyrate;4-Nitrophenyl butyrate;p-Nitrophenyl butanoate;4-Nitrophenyl butanoate;NSC 6867
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

Description

ChEBI: A butyrate ester resulting from the formal condensation of the hydroxy group of 4-nitrophenol with the carboxy group of butyric acid.

P-nitrophenyl butyrate is a butyrate ester resulting from the formal condensation of the hydroxy group of 4-nitrophenol with the carboxy group of butyric acid. It is a butyrate ester and a C-nitro compound. It derives from a 4-nitrophenol.

p-Nitrophenyl butyrate Basic Attributes

Molecular Weight：

209.2

Exact Mass：

209.20

NSC Number：

6867

DSSTox ID：

DTXSID80180955

HScode：

29156000

Characteristics

PSA：

72.1

XLogP3：

2.3

Density：

1.2±0.1 g/cm3

Boiling Point：

184-185 °C @ Press: 760 Torr

Flash Point：

144.8±25.2 °C

Refractive Index：

1.534

Water Solubility：

1.15e-04 M

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R43

safety instructions：

36/37

Marks：

Xi: Irritant;

Precautionary statement(s)：

P280

Hazard Statements：

H317

GHS Classification：

|Warning|H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

4-nitrophenyl butyrate

p-Nitrophenyl butyrate Use and Manufacturing

A probe for lipase activity.

Computed Properties

Molecular Weight:209.20
XLogP3:2.3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:209.06880783
Monoisotopic Mass:209.06880783
Topological Polar Surface Area:72.1
Heavy Atom Count:15
Complexity:228
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 2635-84-9

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