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2-Fluoro-5-nitrobenzoicacid

2-Fluoro-5-nitrobenzoicacid structure

CAS No:
7304-32-7
Formula:
C7H4FNO4
Chemical Name:
2-Fluoro-5-nitrobenzoicacid
Synonyms:
2-Fluoro-5-nitrobenzoic acid;2-Fluoro-5-nitrobenzoicacid;2-fluoro-5-nitro-benzoic acid;Benzoic acid, 2-fluoro-5-nitro-;2-Fluoro-5-nitrobenzoic acid, 98%;MFCD00134238;2-Fluoro-5-nitro-benzoicacid;NSC133450;PubChem1307;ACMC-209op6
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

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Description

white to light yellow crystal powder

2-Fluoro-5-nitrobenzoicacid Basic Attributes

Molecular Weight：

185.11

Exact Mass：

185.012436

BRN：

1912835

EC Number：

-0

NSC Number：

133450

DSSTox ID：

DTXSID90299880

HScode：

2916399090

Characteristics

PSA：

83.1

XLogP3：

1.5

Appearance：

White to pale yellow Crystalline Powder

Density：

1.6±0.1 g/cm3

Melting Point：

142-144 °C(lit.)

Boiling Point：

337.7ºC at 760 mmHg

Flash Point：

158.0±23.7 °C

Refractive Index：

1.588

Water Solubility：

soluble in chloroform, ethanol.

Storage Conditions：

Refrigerator

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

Hazard note：

Irritant

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): 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 47 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-Fluoro-5-nitrobenzoicacid Use and Manufacturing

Methods of Manufacturing

A35-a intermediate 36: 2-Fluoro- -nitrobenzoic acidNitric acid (60percent solution, 5.0 mL) was carefully added to a cooled solution of concentrate sulfuric acid (5.0 mL) so that the temperature did not exceed 10 °C. 2-f uorobenzoic acid (2.1 g, 15.0 mmol) was added by small portions while maintaining temperature between 15 and 25 °C. The mixture was stirred for 2 h at room temperature. Ice was added and the precipitate was filtered. After drying at room temperature, intermediate 36 was obtained as a white powder. Yield: 93percent; mp 135-137 °C; 1H NMR (300 MHz, OMSO-d

Uses

Intermediate for medicine, pesticide, liquid crystal material.

Computed Properties

Molecular Weight:185.11
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:185.01243577
Monoisotopic Mass:185.01243577
Topological Polar Surface Area:83.1
Heavy Atom Count:13
Complexity:227
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-Fluoro-5-nitrobenzoicacid

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Learn More Other Chemicals

2-Fluoro-5-nitrobenzoicacid

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