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(4-Nitrophenyl)acetic acid

(4-Nitrophenyl)acetic acid structure

CAS No:
104-03-0
Formula:
C8H7NO4
Chemical Name:
(4-Nitrophenyl)acetic acid
Synonyms:
Benzeneacetic acid,4-nitro-;Acetic acid,(p-nitrophenyl)-;4-Nitrobenzeneacetic acid;(p-Nitrophenyl)acetic acid;p-Nitro-α-toluic acid;2-(p-Nitrophenyl)acetic acid;(4-Nitrophenyl)acetic acid;NSC 5398;2-(4-Nitrophenyl)acetic acid
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

Description

Beige to yellow crystalline powderChEBI: A monocarboxylic acid that is phenylacetic acid carrying a nitro substituent at position 4.

(4-nitrophenyl)acetic acid is a member of the class of phenylacetic acids that is phenylacetic acid in which the phenyl grup is substituted at the para- position by a nitro group. It is a C-nitro compound and a member of phenylacetic acids. It derives from a phenylacetic acid. It is a conjugate acid of a (4-nitrophenyl)acetate.

(4-Nitrophenyl)acetic acid Basic Attributes

Molecular Weight：

181.15

Exact Mass：

181.15

BRN：

1911801

EC Number：

203-168-5

UNII：

KLB4P626RE

NSC Number：

5398

DSSTox ID：

DTXSID6059289

HScode：

29163900

Characteristics

PSA：

83.1

XLogP3：

1.4

Appearance：

Beige to yellow Crystalline Powder

Density：

1.4283 (rough estimate)

Melting Point：

154 °C

Boiling Point：

314.24°C (rough estimate)

Flash Point：

171.6ºC

Refractive Index：

1.5468 (estimate)

Water Solubility：

slightly soluble

Storage Conditions：

Store below +30°C.

Vapor Pressure：

2.26E-06mmHg at 25°C

Toxicity：

dnr-bcs 500 mg/disc MUREAV170,11,86

Safety Information

Transport codes：

UN 3077 9 / PGIII

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36-37/39

RTECS Number：

AJ1130010

Marks：

Hazard note：

Irritant

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

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

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (94.12%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 85 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

2-(4-nitrophenoxy)acetic acid

(4-Nitrophenyl)acetic acid Use and Manufacturing

Methods of Manufacturing

By hydrolysis of p-nitrophenylacetonitrile. Mix p-nitrophenylacetonitrile, concentrated sulfuric acid and water, and heat to reflux for 15min. Then pour the reactant into ice water, precipitate crystals, filter, wash the filter cake with ice water, and then recrystallize with water to obtain p-nitrophenylacetic acid. The yield is over 92%.

Uses

Intermediate for dyestuffs, pharmaceuticals, penicillin precursors, local anesthetics.

Manufacturing Info：

Benzeneacetic acid, 4-nitro-: ACTIVE

Computed Properties

Molecular Weight:181.15
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:181.03750770
Monoisotopic Mass:181.03750770
Topological Polar Surface Area:83.1
Heavy Atom Count:13
Complexity:203
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (4-Nitrophenyl)acetic acid

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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(4-Nitrophenyl)acetic acid

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