5-Amino-2-naphthol

HCID 6865

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Basic information

CAS: 86-97-5
Standard SMILES: Nc1cccc2cc(O)ccc12
InChIKey: FSBRKZMSECKELY-UHFFFAOYSA-N
Molecular formula: C10H9NO
Average molar mass: 159.18 g/mol
Monoisotopic mass: 159.06841391

Names & identifiers

Preferred name: 5-Amino-2-naphthol
IUPAC: 5-aminonaphthalen-2-ol
English name: 5-Amino-2-naphthol
Molecular formula: C10H9NO
Molecular weight: 159.18

Names & synonyms

5-Amino-2-naphthol2-Naphthalenol, 5-amino-5-amino-2-naphthalenolC8NZH84CBMEINECS 201-713-1BRN 2802791AI3-51303DTXSID30589514-13-00-02104 (Beilstein Handbook Reference)NSC-4012RefChem:101941DTXCID9048518

Show more names

NSC 40125-Amino-2-naphtol5-amino-2-naphtho5-amino-2-naphthaleno5-amino-2-napthalenol5-Amino-2-naphthol >

201-713-1FSBRKZMSECKELY-UHFFFAOYSA-N5-aminonaphthalen-2-ol86-97-5MFCD000357292-NAPHTHOL, 5-AMINO-5-?Amino-2-?naphthalenol1-AMINO-6-NAPHTHOL

Database identifiers

CAS: 86-97-5
PubChem CID: 6865
DTXSID: DTXSID3058951
ChEMBL: CHEMBL1396145
UNII: C8NZH84CBM
EC Number: 201-713-1
Nikkaji: J54.255E

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 46.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 160

Physicochemical properties

Melting point: 183 °C · 183°C
Boiling point: 378 ℃ · 378℃
Density: 1.281 · 1.281
refractive index: 1.546 · 1.5460 (estimate)
Flash point: 183 ℃ · 183℃
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: DMSO (Slightly), Methanol (Slightly)
form: powder to crystal
pka: 9.76 · 9.76±0.40(Predicted)
color: White to Gray to Brown
InChI: 1S/C10H9NO/c11-10-3-1-2-7-6-8(12)4-5-9(7)10/h1-6,12H,11H2
InChIKey: FSBRKZMSECKELY-UHFFFAOYSA-N
SMILES: Nc1cccc2cc(O)ccc12
CAS DataBase Reference: 86 · 86-97-5(CAS DataBase Reference)
FDA UNII: 8 NZH84CBM · C8NZH84CBM
EPA Substance Registry System: 2 · 2-Naphthalenol, 5-amino- (86-97-5)
UNSPSC Code: 12352200 · 12352200
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
target organs: Respiratory system
Hazard Codes: Xn
Risk Statements: 36 · 36/37/38-22
Safety Statements: 26 · 26-36/37/39
WGK Germany: 3 · WGK 3
RTECS: 3330000 · QL3330000
TSCA: TSCA listed
HS Code: 2922.29 · 2922.29.8190
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 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 CategoriesSkin Irrit. 2 (100%)

Safety data

wgk: WGK 3
tsca: TSCA listed
rtecs: QL3330000
hs_code: 2922.29.8190
risk_code: 36/37/38-22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 26-36/37/39
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313

Chemistry & industry

Uses & manufacturing

General Manufacturing Information2-Naphthalenol, 5-amino-: INACTIVE

Applications

Uses5-Amino-2-naphthalenol is a building block used to synthesize 6-amino- substituted benzo[c]phenanthridine derivatives. It is also used to synthesize affinity ligands for HIV-1 integrase.