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4-Nitrophenyl isocyanate

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Origin: China

Cas No: 100-28-7

Specification: 99%min

Min order Quantity: 1 /kg

Supply Ability: 80 mt/month

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Product Description

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CAS No.: 100-28-7 Formula: C7H4N2O3 Molecular Weight: 164.11800

Description

1-Isocyanato-4-nitrobenzene is a useful synthetic intermediate. It can be used as a reactant in the synthesis of potent human NK1 tachykinin receptor antagonist. It can also be used to prepare N-{2-[(7-chloroquinolin-4-yl)amino]ethyl}ureas with antiprotozoal and antimycobacterial activities.

Basic Info

Chemical Name	4-Nitrophenyl isocyanate
Synonyms	Isocyanic Acid 4-Nitrophenyl Ester; 4-Nitrophenyl Isocyanate; Benzene, 1-isocyanato-4-nitro-; 1-isocyanato-4-nitrobenzene;
CAS No.	100-28-7
Molecular Formula	C7H4N2O3
Molecular Weight	164.11800
PSA	75.25000
LogP	2.08530

Properties

Appearance & Physical State	slightly brown solid
Density	1.32 g/cm3
Boiling Point	136-137ºC (11 mmHg)
Melting Point	55-57ºC
Flash Point	66ºC
Refractive Index	1.589
Stability	Stable under normal temperatures and pressures.
Storage Condition	2-8ºC
Vapor Pressure	0.00684mmHg at 25°C

Safety Info

RTECS	DA3692500
Hazard Class	6.1(b)
Safety Statements	S26-S36/37/39
HS Code	2929109000
Packing Group	III
WGK Germany	3
RIDADR	2206
Risk Statements	R20/21/22; R36/37/38
Hazard Codes	Xn

Synthesis Route

bis(trichloromethyl) carbonate+4-Nitroaniline→1,3-BIS(4-NITROPHENYL)UREA+4-Nitrophenyl isocyanate
tert-butyl N-(4-nitrophenyl)carbamate→4-Nitrophenyl isocyanate+tert-butanol
bis(trichloromethyl) carbonate+4-Nitroaniline→4-Nitrophenyl isocyanate

Precursor

N-hydroxy-4-nitrobenzamide
4-Nitroaniline
4-nitrobenzoyl azide
phosgene

Downstream Product

butan-2-yl N-(4-nitrophenyl)carbamate
1,3-BIS(4-NITROPHENYL)UREA
4-(4-aminophenyl)-1,2,4-triazolidine-3,5-dione
N-(4-nitrophenyl)benzamide

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