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1-Bromo-4-nitrobenzene

1-Bromo-4-nitrobenzene structure

CAS No:
586-78-7
Formula:
C6H4BrNO2
Chemical Name:
1-Bromo-4-nitrobenzene
Synonyms:
Benzene,1-bromo-4-nitro-;1-Bromo-4-nitrobenzene;p-Nitrobromobenzene;4-Bromonitrobenzene;4-Nitrobromobenzene;p-Bromonitrobenzene;p-Nitrophenyl bromide;4-Nitrophenyl bromide;4-Bromo-1-nitrobenzene;NSC 3526;4-Nitro-1-bromobenzene;1-Nitro-4-bromobenzene;1425113-44-5
Categories:
Pharmaceutical Intermediates > Oled Material Intermediate

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Description

light yellow powder

1-Bromo-4-nitrobenzene Basic Attributes

Molecular Weight：

202.01

Exact Mass：

202.01

BRN：

636964

EC Number：

209-583-8

NSC Number：

3526

DSSTox ID：

DTXSID7060415

HScode：

29049085

Characteristics

PSA：

45.8

XLogP3：

2.55

Appearance：

Light yellow Crystalline Powder

Density：

1,95 g/cm3

Melting Point：

127 °C

Boiling Point：

256 °C

Flash Point：

254-256°C

Refractive Index：

1.606

Water Solubility：

insoluble

Storage Conditions：

Store below +30°C.

Flammability characteristics：

Open flame is flammable; heat can explain toxic bromide and nitrogen oxide gas

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN 3459 6.1/PG 3

wgk germany：

hazard class code：

22-36/37/38-20/21/22-62-51/53-46-45

safety instructions：

36/37/39-26-22-61-53-45

RTECS Number：

CY9040550

Marks：

Xn,Xi

Storage features：

The warehouse is ventilated, low-temperature and dry; stored and transported separately from food raw materials and oxidants

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (97.78%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P314, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 45 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Mobility：

263.03 L/kg

Drug Information

MeSH Entry Terms：

1-bromo-4-nitrobenzene

1-Bromo-4-nitrobenzene Use and Manufacturing

Uses

Dye intermediate.

Manufacturing Info：

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

Computed Properties

Molecular Weight:202.01
XLogP3:2.5
Hydrogen Bond Acceptor Count:2
Exact Mass:200.94254
Monoisotopic Mass:200.94254
Topological Polar Surface Area:45.8
Heavy Atom Count:10
Complexity:126
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Nitric acid