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Phenyl 4-aminosalicylate

Phenyl 4-aminosalicylate structure

CAS No:
133-11-9
Formula:
C13H11NO3
Chemical Name:
Phenyl 4-aminosalicylate
Synonyms:
Benzoic acid,4-amino-2-hydroxy-,phenyl ester;Salicylic acid,4-amino-,phenyl ester;p-Aminosalicylic acid phenyl ester;p-Aminosalol;Fenamisal;Phenyl p-aminosalicylate;Phenyl 4-aminosalicylate;Phenyl aminosalicylate;Phenyl PAS;Phenyl-PAS-Tebamin;Tebamin;Tebanyl;FR 7;PAS-Tebamin;Tebamin-Leo;Phenyl 4-amino-2-hydroxybenzoate;4-Aminosalicylic acid phenyl ester;Pheny-PAS-Tebamin;4-Amino-2-hydroxybenzoic acid phenyl ester;NSC 40144
Categories:
Organic Chemistry > Nitrile Compound

Description

WHITE POWDER

4-amino-2-hydroxybenzoic acid phenyl ester is a carbonyl compound.|Phenyl Aminosalicylate is the phenyl ester of para-aminosalicylic acid, reported to have less side effects than simple salts of para-aminosalicylic acid.

Phenyl 4-aminosalicylate Basic Attributes

Molecular Weight：

229.23

Exact Mass：

229.23

EC Number：

205-092-8

UNII：

52936SIP7V

NSC Number：

755837|40144

DSSTox ID：

DTXSID7021994

NCI Thesaurus Code：

C66376

HScode：

2922509090

Characteristics

PSA：

72.6

XLogP3：

2.95

Appearance：

White.

Density：

1.2084 (rough estimate)

Melting Point：

153 °C

Boiling Point：

371.13°C (rough estimate)

Flash Point：

199.6±24.6 °C

Refractive Index：

1.5500 (estimate)

Water Solubility：

3.05e-05 M

Storage Conditions：

Store in a cool, dry place. Keep container closed when not in use.

Vapor Pressure：

3.48E-07mmHg at 25°C

Collision Cross Section：

163.4 Å² [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

Safety Information

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

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 (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 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

4-aminosalicylic acid phenyl ester

Phenyl 4-aminosalicylate Use and Manufacturing

Uses

Antibacterial(tuberculostatic).

Use Classification：

Human Drugs -> FDA Approved Drug Products with Therapeutic Equivalence Evaluations (Orange Book) -> Active Ingredients

Computed Properties

Molecular Weight:229.23
XLogP3:3.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:229.07389321
Monoisotopic Mass:229.07389321
Topological Polar Surface Area:72.6
Heavy Atom Count:17
Complexity:263
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Phenyl-4-aminosalicylate

CAS No.: 133-11-9

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