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4-Nitrophenyl formate

4-Nitrophenyl formate structure

CAS No:
1865-01-6
Formula:
C7H5NO4
Chemical Name:
4-Nitrophenyl formate
Synonyms:
Formic acid,4-nitrophenyl ester;Formic acid,p-nitrophenyl ester;4-Nitrophenyl formate;p-Nitrophenyl formate;NSC 154301
Categories:
Chemical Reagents > Organic Reagents

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Description

Off-White Solid

4-Nitrophenyl formate Basic Attributes

Molecular Weight：

167.12

Exact Mass：

167.12

BRN：

1950897

EC Number：

217-473-6

NSC Number：

154301

DSSTox ID：

DTXSID8062026

HScode：

2915 13 00

Characteristics

PSA：

72.1

XLogP3：

2.28910

Appearance：

White to off-white Crystalline Powder or Crystals

Density：

1.363±0.06 g/cm3(Predicted)

Melting Point：

73-74 °C @ Solvent: Tetrahydrofuran

Boiling Point：

279.0±32.0 °C(Predicted)

Flash Point：

142.8ºC

Refractive Index：

1.56

Water Solubility：

Hydrolyzes in water. Soluble in dichloromethane.

Storage Conditions：

2-8°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

23-24/25

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

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 4 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-Nitrophenyl formate Use and Manufacturing

Uses

A selective formylating agent for one of two amino groups in such basic amino acids as ornithine or lysine

Manufacturing Info：

Formic acid, 4-nitrophenyl ester: INACTIVE

Computed Properties

Molecular Weight:167.12
XLogP3:1.8
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:167.02185764
Monoisotopic Mass:167.02185764
Topological Polar Surface Area:72.1
Heavy Atom Count:12
Complexity:169
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes