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1-Nitro-4-phenoxybenzene

1-Nitro-4-phenoxybenzene structure

CAS No:
620-88-2
Formula:
C12H9NO3
Chemical Name:
1-Nitro-4-phenoxybenzene
Synonyms:
Benzene,1-nitro-4-phenoxy-;Ether,p-nitrophenyl phenyl;1-Nitro-4-phenoxybenzene;p-Nitrodiphenyl ether;p-Nitrophenyl phenyl ether;4-Nitrodiphenyl ether;4-Nitrophenyl phenyl ether;4-Phenoxynitrobenzene;RH 0211;NSC 5420;NSC 57080;4-Phenoxy-1-nitrobenzene;1-Phenoxy-4-nitrobenzene
Categories:
Chemical Reagents > Organic Reagents

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Description

yellow flakes

1-Nitro-4-phenoxybenzene Basic Attributes

Molecular Weight：

215.2

Exact Mass：

215.20

EC Number：

210-656-1

UNII：

6SV296C6QI

NSC Number：

57080|5420

DSSTox ID：

DTXSID3022087

HScode：

2909309090

Characteristics

PSA：

55.05000

XLogP3：

3.91030

Density：

1.12g/cm3

Melting Point：

61 °C

Boiling Point：

320 °C

Flash Point：

>230 °F

Refractive Index：

1.564

Toxicity：

eye-rbt 500 mg/24H MLD 28ZPAK -,118,72

Safety Information

Hazard category：

Transport codes：

3077

wgk germany：

safety instructions：

22-24/25

RTECS Number：

KO2680000

Marks：

Hazard note：

Irritant

Precautionary statement(s)：

P305 + P351 + P338

Hazard Statements：

H319

GHS Classification：

|Warning|H319 (97.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P264, P280, P305+P351+P338, and P337+P313|Aggregated GHS information provided by 40 companies from 2 notifications to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

4-nitrobiphenyl ether

1-Nitro-4-phenoxybenzene Use and Manufacturing

Methods of Manufacturing

Mix 160g of phenol with 80g of potassium hydroxide and heat to 130-140°C to dissolve the alkali completely. Cool to 100-110°C, add 0.5g active copper powder and 78.8g p-nitrochlorobenzene, stir and heat to 150-160°C, add potassium chloride to isolate when the reaction is boiling, stop heating, no longer boiling, then add 78.8g pair Nitrochlorobenzene, repeat the same operation once. The reaction product was poured into a 1.5L ice water solution of 50g sodium hydroxide to remove phenol, p-nitrodiphenyl ether was precipitated out, and the filtered crude product was distilled under reduced pressure to obtain 173-177g finished product with a yield of 80-82%.

Uses

Organic synthesis intermediate.

Manufacturing Info：

Benzene, 1-nitro-4-phenoxy-: ACTIVE

Computed Properties

Molecular Weight:215.20
XLogP3:3.8
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:215.058243149
Monoisotopic Mass:215.058243149
Topological Polar Surface Area:55
Heavy Atom Count:16
Complexity:225
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

1-Chloro-4-nitrobenzene

Phenol

Potassium hydroxide

Sodium hydroxide

Zinc acetate dihydrate

Copper sulfate