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4-Nitrophenacyl bromide

4-Nitrophenacyl bromide structure

CAS No:
99-81-0
Formula:
C8H6BrNO3
Chemical Name:
4-Nitrophenacyl bromide
Synonyms:
Ethanone,2-bromo-1-(4-nitrophenyl)-;Acetophenone,2-bromo-4′-nitro-;2-Bromo-1-(4-nitrophenyl)ethanone;α-Bromo-4-nitroacetophenone;4′-Nitro-2-bromoacetophenone;4-Nitrophenacyl bromide;p-Nitrophenacyl bromide;p-Nitro-α-bromoacetophenone;α-Bromo-p-nitroacetophenone;2-Bromo-p-nitroacetophenone;2-Bromo-4′-nitroacetophenone;ω-Bromo-p-nitroacetophenone;Bromomethyl p-nitrophenyl ketone;ω-Bromo-4-nitroacetophenone;Bromomethyl 4-nitrophenyl ketone;4-Nitro-α-bromoacetophenone;2-Bromo-1-(4-nitrophenyl)ethan-1-one;NSC 9805;α-Bromo-4′-nitroacetophenone
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

yellow to orange crystalline powder

4-Nitrophenacyl bromide Basic Attributes

Molecular Weight：

244.044

Exact Mass：

244.04

EC Number：

202-789-9

NSC Number：

9805

DSSTox ID：

DTXSID9059202

HScode：

2914700090

Characteristics

PSA：

62.9

XLogP3：

1.95

Appearance：

Gold powder.

Density：

1.7±0.1 g/cm3

Melting Point：

95-97 °C

Boiling Point：

325.2±17.0 °C at 760 mmHg

Flash Point：

150.5±20.9 °C

Refractive Index：

1.609

Storage Conditions：

Keep away from sources of ignition. Store in a cool, dry place. Keep container closed when not in use. Corrosives area.

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 3261 8/PG 2

wgk germany：

hazard class code：

R34

safety instructions：

S26-S36/37/39-S45

Marks：

C:Corrosive;

Stability/Shelf Life：

Stable at room temperature in closed containers under normal storage and handling conditions.

Precautionary statement(s)：

P280-P305 + P351 + P338-P310

Hazard Statements：

H314

GHS Classification：

|Danger|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501|Aggregated GHS information provided by 48 companies from 4 notifications to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

2-bromo-4'-nitroacetophenone

4-Nitrophenacyl bromide Use and Manufacturing

Manufacturing Info：

Ethanone, 2-bromo-1-(4-nitrophenyl)-: INACTIVE

Computed Properties

Molecular Weight:244.04
XLogP3:2.3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:242.95311
Monoisotopic Mass:242.95311
Topological Polar Surface Area:62.9
Heavy Atom Count:13
Complexity:206
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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2-Bromo-4-nitroacetophenone

CAS No.: 99-81-0

Content: 99.00%

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