- 4-Chlorophthalic acid
- 4-Chlorophthalic acid monosodium salt
- 4-Chlorophthalic anhydride
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Cas Database |
| Name |
4-Chlorophthalic acid monosodium salt |
EINECS | 259-963-2 |
| CAS No. | 56047-23-5 | Density | g/cm3 |
| PSA | 77.43000 | LogP | 0.40170 |
| Solubility | Soluble in water | Melting Point |
N/A |
| Formula | C8H5 Cl O4 . Na | Boiling Point | 399.5 °C at 760 mmHg |
| Molecular Weight | 222.56 | Flash Point | 195.4 °C |
| Transport Information | UN 2811 6 | Appearance | white to light tan powder. |
| Safety | 26-36 | Risk Codes | 20/21/22-36 |
| Molecular Structure |
|
Hazard Symbols |
 Xn
|
| Synonyms |
1,2-Benzenedicarboxylicacid, 4-chloro-, monosodium salt (9CI); Phthalic acid, 4-chloro-, sodium salt(6CI); 4-Chloro-o-phthalic acid sodium salt; 4-Chlorophthalic acid monosodiumsalt; Monosodium 4-chlorophthalate |
Article Data | 1 |
4-Chlorophthalic acid monosodium salt Synthetic route
- 85-44-9
phthalic anhydride
- 56047-23-5
monosodique de l'acide chloro-4 phtalique
| Conditions | Yield |
|---|---|
| Stage #1: phthalic anhydride With sodium chlorate; sodium hydroxide In water at 28 - 30℃; for 17h; Stage #2: With hydrogenchloride In water at 30℃; pH=Ca. 5.5; |
- 56047-23-5
monosodique de l'acide chloro-4 phtalique
- 118-45-6
4-chlorophthalic anhydride
| Conditions | Yield |
|---|---|
| With thionyl chloride for 2h; Heating; | 70% |
| With sulfuric acid In acetic anhydride for 3h; Heating; | |
| With thionyl chloride for 2h; Reflux; |
| Conditions | Yield |
|---|---|
| With hydrogenchloride at 80℃; for 48h; Esterification; | 62% |
- 56047-23-5
monosodique de l'acide chloro-4 phtalique
- 173962-58-8
4-chloro-2-hydroxy-1(H)-isoindole-1,3-dione
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 62 percent / HCl(g) / 48 h / 80 °C 2: hydroxylamine; KOH / methanol / 8 h / -70 °C / RT, 72 h View Scheme |
- 56047-23-5
monosodique de l'acide chloro-4 phtalique
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: 62 percent / HCl(g) / 48 h / 80 °C 2: hydroxylamine; KOH / methanol / 8 h / -70 °C / RT, 72 h 3: 48 percent / NaHCO3 / H2O / 3 h / 0 °C View Scheme |
- 56047-23-5
monosodique de l'acide chloro-4 phtalique
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: 62 percent / HCl(g) / 48 h / 80 °C 2: hydroxylamine; KOH / methanol / 8 h / -70 °C / RT, 72 h 3: 56 percent / NaHCO3 / H2O / 3 h / 0 °C View Scheme |
- 56047-23-5
monosodique de l'acide chloro-4 phtalique
- 7147-90-2
4-chlorophthalimide
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 70 percent / thionylchloride / 2 h / Heating 2: 98 percent / urea / 0.67 h / Heating View Scheme | |
| Multi-step reaction with 2 steps 1: thionyl chloride / 2 h / Reflux 2: formamide / 1 h / 150 °C View Scheme |
- 56047-23-5
monosodique de l'acide chloro-4 phtalique
- 19641-29-3
6-chlorophthalide
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: H2SO4 / acetic anhydride / 3 h / Heating 2: 83 percent / NaBH4 / methanol View Scheme |
- 56047-23-5
monosodique de l'acide chloro-4 phtalique
- 22018-96-8
5-chloro-1H-indene-1,3(2H)-dione
| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 steps 1: H2SO4 / acetic anhydride / 3 h / Heating 2: 2 h / Heating 3: 1.) SOCl2 / 1.) reflux; 2.) benzene, reflux, 1.5 h 4: Na / reflux 2 h, then r.t., 15 h View Scheme |
- 56047-23-5
monosodique de l'acide chloro-4 phtalique
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: H2SO4 / acetic anhydride / 3 h / Heating 2: 2 h / Heating View Scheme |
4-Chlorophthalic acid monosodium salt Chemical Properties
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IUPAC Name: Sodium 2-carboxy-5-chlorobenzoate
Empirical Formula: C8H3ClNaO4
Molecular Weight: 221.5503
Nominal Mass: 221
Average Mass: 221.5503
Monoisotopic Mass: 220.962305
Canonical SMILES: C1=CC(=C(C=C1Cl)C(=O)[O-])C(=O)O.[Na+]
InChI: InChI=1S/C8H5ClO4.Na/c9-4-1-2-5(7(10)11)6(3-4)8(12)13;/h1-3H,(H,10,11)(H,12,13);/q;+1/p-1
InChIKey: MWZMHSGEQHVWED-UHFFFAOYSA-M
EINECS: 259-963-2
H-Bond Donor: 1
H-Bond Acceptor: 4
Freely Rotating Bonds of 4-Chlorophthalic acid monosodium salt (CAS NO.56047-23-5): 2
4-Chlorophthalic acid monosodium salt Safety Profile
Hazard Codes: 
Xn
Risk Statements: 20/21/22-36
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
R36:Irritating to eyes.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
RIDADR: UN 2811 6.1/PG 3
WGK Germany: 3
HazardClass: 6.1(b)
PackingGroup of 4-Chlorophthalic acid monosodium salt (CAS NO.56047-23-5): III
4-Chlorophthalic acid monosodium salt Specification
4-Chlorophthalic acid monosodium salt (CAS NO.56047-23-5), its Synonyms are 1,2-Benzenedicarboxylic acid, 4-chloro-, monosodium salt ; 1,2-Benzenedicarboxylic acid, 4-chloro-, sodium salt (1:1) ; Monosodium hydrogen 4-chlorophthalate ; Sodium 4-chlorophthalate . It is white to tan to beige crystalline powder.
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