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2-Nitrophenyl acetate

2-Nitrophenyl acetate structure

CAS No:
610-69-5
Formula:
C8H7NO4
Chemical Name:
2-Nitrophenyl acetate
Synonyms:
Acetic acid,2-nitrophenyl ester;Acetic acid,o-nitrophenyl ester;Phenol,o-nitro-,acetate;2-Nitrophenyl acetate;o-Nitrophenyl acetate;2-Nitrophenol acetate;NPA;NSC 5397
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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2-Nitrophenyl acetate Basic Attributes

Molecular Weight：

181.14500

Exact Mass：

181.15

EC Number：

210-233-1

NSC Number：

5397

DSSTox ID：

DTXSID7060590

HScode：

2915390090

Characteristics

PSA：

72.12000

XLogP3：

2.04330

Density：

1.304g/cm3

Melting Point：

40.5 °C

Boiling Point：

141 °C

Flash Point：

113ºC

Refractive Index：

1.548

Vapor Pressure：

0.00 mmHg

Safety Information

safety instructions：

S22-S24/25

Precautionary statement(s)：

P261, P272, P280, P302+P352, P321, P333+P313, P363, P501

Hazard Statements：

H317

GHS Classification：

|Warning|H317 (97.56%): 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 41 companies from 2 notifications to the ECHA C&L Inventory.

2-Nitrophenyl acetate Use and Manufacturing

Manufacturing Info：

Acetic acid, 2-nitrophenyl ester: INACTIVE

Computed Properties

Molecular Weight:181.15
XLogP3:1.6
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:181.03750770
Monoisotopic Mass:181.03750770
Topological Polar Surface Area:72.1
Heavy Atom Count:13
Complexity:211
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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(2-nitrophenyl) acetate

CAS No.: 610-69-5

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