4-chlorobenzoic acid

CAS No. 74-11-3

Formula: C7H5ClO2
Basic Info

A benzoic acid analogue that showed antifungal activity against strains of Aspergillus flavus, Aspergillus fumigatus and Aspergillus terreus, causative agents of human aspergillosis, in in vitro bioassays. It is used as a preservative.

Formula
C7H5ClO2
Molecular Weight
156.566
Exact Mass
155.998
LogP
2.0382
PSA
37.3
Synonyms

P-CHLOROBENZOICACID

4-chloro-benzoic acid

4-Chlorobenzoic acid

PCBA

Sodium 1,5-naphthalenedisulfonate dibasic

p-chlorobenzoic

2-chloro-5-carboxybenzene

P-CHLOROBENZOIC ACID

4-Chlorobenzoicacid

Mycosid

4-CHLOROBENZOIC ACID FOR SYNTHESIS

4-chlorobenzoic

para-chlorobenzoic acid

4-Cl-PhCOOH

4-CHLOROBENZOATE

BENZOIC ACID, 4-CHLORO-

4-CHLORO BENZOIC ACID

4 CHLOROBENZOIC ACID

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Properties
Appearance & Physical State
white to off-white crystalline flakes
Density
1.374 g/cm3
Boiling Point
274-276ºC (subl.)
Melting Point
240-243ºC
Flash Point
238ºC
Water Solubility
soluble in hot water
Stability
Stable. Combustible. Incompatible with bases, strong oxidizing agents.
Storage Condition
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Safety Info
RTECS
DG4976010
Safety Statements
S26-S37/39
WGK Germany
2
Risk Statements
R22; R36/37/38
HS Code
4002191900
Hazard Codes
Spectrum
NMR Spectrum 1H NMR : Predict
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Mass Spectrum Mass spectrum (electron ionization)
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UV Spectrum UV/Visible spectrum
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Analysis Methods
Van Den Dool and Kratz RI, non-polar column, temperature ramp
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Column Shape
Packed
Active Phase(℃)
SE-30
Retention index
1336.
Temperature Control
Method
temperature ramp
Comments
He, Supelcoport and Chromosorb, 40. C @ 4. min, 10. K/min, 250. C @ 60. min; Column length: 3.05 m
Reference
Peng, C.T.Ding, S.F.Hua, R.L.Yang, Z.C.Prediction of Retention Indexes I. Structure-Retention Index Relationship on Apolar ColumnsJ. Chromatogr.1988, 436, 137-172.

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