CAS 22948-02-3 3-Aminothiophenol (HCID 31577)

Names & identifiers

Preferred name: 3-Aminothiophenol
IUPAC: 3-aminobenzenethiol
English name: 3-Aminothiophenol
Molecular formula: C6H7NS
Molecular weight: 125.19

Names & synonyms

3-Aminothiophenol3-AMINOBENZENETHIOL22948-02-3Benzenethiol, 3-amino-m-aminothiophenolC28JQS4Q5MEINECS 245-344-4DTXSID00177488RefChem:497820DTXCID7099979245-344-43-Mercaptoaniline

Show more names

m-Aminobenzenethiol3-Aminothiophenol,98%3-Aminothiophenol 97%Dotinurad Impurity 127

3-aminobenzene-1-thiolMFCD000077913-amino thiophenol3-amino-benzenethiol3-Aminothiophenol, 96%UNII-C28JQS4Q5MSCHEMBL61220SCHEMBL515481

Database identifiers

CAS: 22948-02-3
PubChem CID: 31577
DTXSID: DTXSID00177488
UNII: C28JQS4Q5M
EC Number: 245-344-4
Nikkaji: J318.369F

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 27 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 74.9

Physicochemical properties

Melting point: 97 C · 97 C
Boiling point: 80 °C · 80°C 16mm
Density: 1.179 g/mL · 1.179 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.656(lit.)
Flash point: 175 °F · 175 °F
storage temp.: 2 · 2-8°C, stored under nitrogen
form: Liquid
pka: 6.75 · 6.75±0.10(Predicted)
color: Pale yellow to brown
Water Solubility: Soluble in water.
Sensitive: Stench
InChI: 1S/C6H7NS/c7-5-2-1-3-6(8)4-5/h1-4,8H,7H2
InChIKey: KFFUEVDMVNIOHA-UHFFFAOYSA-N
SMILES: Nc1cccc(S)c1
CAS DataBase Reference: 22948 · 22948-02-3(CAS DataBase Reference)
FDA UNII: 28 JQS4Q5M · C28JQS4Q5M
NIST Chemistry Reference: 3 · 3-Aminobenzenethiol(22948-02-3)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302+H312+H332-H314
Precautionary statements: 261 · P261-P280-P301+P312-P303+P361+P353-P304+P340+P310-P305+P351+P338
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: C
Risk Statements: 20 · 20/21/22-34-37
Safety Statements: 26 · 26-27-36/37/39-45-25
RIDADR: 3267 · UN 3267 8/PG 2
WGK Germany: 3 · 3
Hazard Note: Corrosive/Stench
HazardClass: 8 · 8
PackingGroup: III
HS Code: 29309070 · 29309070
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 4 OralSkin · Acute Tox. 4 OralSkin Corr. 1B

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (97.8%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (97.8%)

Safety data

PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 3267 8/PG 2
hs_code: 29309070
risk_code: 20/21/22-34-37
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: C
hazard_note: Corrosive/Stench
safety_code: 26-27-36/37/39-45-25
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: III
Hazard statements: H302+H312+H332-H314
Hazard Classifications: Acute Tox. 4 OralSkin Corr. 1B
Precautionary statements: P261-P280-P301+P312-P303+P361+P353-P304+P340+P310-P305+P351+P338

Chemistry & industry

Applications · 1 item

Uses3-Aminothiophenol was used as analyte during the fabrication of top-to-bottom joined system consisting of a silver nanowire and nanospheres. It was used in formation of polyaniline-analog monolayer on gold surface by anchoring to the gold substrate through the thiol moiety.