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3-Fluorophthalic acid

3-Fluorophthalic acid structure

CAS No:
1583-67-1
Formula:
C8H5FO4
Chemical Name:
3-Fluorophthalic acid
Synonyms:
1,2-Benzenedicarboxylic acid,3-fluoro-;Phthalic acid,3-fluoro-;3-Fluoro-1,2-benzenedicarboxylic acid;3-Fluorophthalic acid;NSC 402999
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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3-Fluorophthalic acid Basic Attributes

Molecular Weight：

184.12

Exact Mass：

184.12

EC Number：

216-433-5

NSC Number：

402999

HScode：

2917399090

Characteristics

PSA：

74.6

XLogP3：

Appearance：

White to light yellow crystal powder

Density：

1.6±0.1 g/cm3

Melting Point：

167-168 °C @ Solvent: Water, Ethanol

Boiling Point：

367.9°C at 760 mmHg

Flash Point：

176.3±23.7 °C

Refractive Index：

1.591

Vapor Pressure：

4.63E-06mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S37/39

Marks：

Xi: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 45 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:184.12
XLogP3:1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:184.01718680
Monoisotopic Mass:184.01718680
Topological Polar Surface Area:74.6
Heavy Atom Count:13
Complexity:228
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 1583-67-1

Grade: Industrial Grade

Content: 99%

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