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4-Aminothiophenol

4-Aminothiophenol structure

CAS No:
1193-02-8
Formula:
C6H7NS
Chemical Name:
4-Aminothiophenol
Synonyms:
Benzenethiol,4-amino-;Benzenethiol,p-amino-;4-Aminobenzenethiol;4-Mercaptoaniline;p-Aminothiophenol;p-Aminobenzenethiol;p-Aminophenyl mercaptan;4-Aminothiophenol;p-Mercaptoaniline;4-Mercaptobenzenamine;p-Aminophenylthiol
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

yellow crystalline low melting mass

4-Aminothiophenol Basic Attributes

Molecular Weight：

125.19

Exact Mass：

125.19

BRN：

906904

EC Number：

214-763-4

UNII：

8X56V0K20X

DSSTox ID：

DTXSID1074466

HScode：

29309070

Characteristics

PSA：

64.82000

XLogP3：

1.31

Appearance：

Off-white to brown Crystals, Flakes or Crystalline Mass

Density：

1.136 (estimate)

Melting Point：

46 °C

Boiling Point：

143 °C

Flash Point：

>230 °F

Refractive Index：

1.4606 (estimate)

Water Solubility：

Immiscible with water.

Storage Conditions：

2-8°C

Vapor Pressure：

0.011mmHg at 25°C

Toxicity：

Oral-Mouse LDL0: 320 mg/kg; Oral-Wild Bird LD50: 42 mg/kg

Flammability characteristics：

Flammable; burning produces toxic nitrogen oxides and sulfur oxide fumes

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 3263 8/PG 2

wgk germany：

hazard class code：

34-37

safety instructions：

26-28-36/37/39-45-25-27

RTECS Number：

DC0602500

Marks：

Storage features：

Warehouse ventilated, low temperature and dry

Hazard note：

Corrosive/Stench

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P280-P305 + P351 + P338-P310

Hazard Statements：

H314

GHS Classification：

|Danger|H302 (16.67%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501|Aggregated GHS information provided by 48 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Toxicity class：

highly toxic

Drug Information

MeSH Entry Terms：

4-aminothiophenol

4-Aminothiophenol Use and Manufacturing

4-Aminothiophenol (4-ATP) was employed as bifunctional molecule to functionalize gold nanoparticles (NPs) used in surface-enhanced Raman spectroscopy (SERS) detection of thrombin by protein recognition.

Computed Properties

Molecular Weight:125.19
XLogP3:1.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Exact Mass:125.02992040
Monoisotopic Mass:125.02992040
Topological Polar Surface Area:27
Heavy Atom Count:8
Complexity:66.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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