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7-Amino-2-naphthalenol

HCID 66732
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Basic information

CAS
93-36-7
Standard SMILES
Nc1ccc2ccc(O)cc2c1
InChIKey
WSUYONLKFXZZRV-UHFFFAOYSA-N
Molecular formula
C10H9NO
Average molar mass
159.18 g/mol
Monoisotopic mass
159.06841391

Overview

mutagen metabolite of 2-aminonaphthalene; RN given refers to parent cpd

Names & identifiers

Preferred name
7-Amino-2-naphthalenol
IUPAC
7-aminonaphthalen-2-ol
English name
7-amino-2-naphthol
Molecular formula
C10H9NO
Molecular weight
159.18

Names & synonyms

7-Amino-2-naphthol93-36-72-Amino-7-naphthol2-Amino-7-hydroxynaphthalene2-Naphthol, 7-amino-2-Naphthalenol, 7-amino-699W4BH6RDNSC-7940DTXSID902392217-amino-2-naphthalenolRefChem:545353DTXCID10161712
Show more names
7-Amino-β-naphtholhttps://www.chemicalbook.com/ProdSupplierGNCB0875806.htm
202-241-97-aminonaphthalen-2-olNSC 7940MFCD06252604MLS002638031NSC7940EINECS 202-241-97-amino-naphtalene-2-ol

Database identifiers

CAS
93-36-7
PubChem CID
66732
DTXSID
DTXSID90239221
ChEMBL
CHEMBL1708818
UNII
699W4BH6RD
EC Number
202-241-9
Nikkaji
J36.344H

Properties

Computed structural properties

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

Physicochemical properties

Melting point
201 °C · 201 °C
Boiling point
385.6 · 385.6±15.0 °C(Predicted)
Density
1.281 · 1.281±0.06 g/cm3(Predicted)
pka
9.74 · 9.74±0.40(Predicted)
form
solid
color
Brown
FDA UNII
699 W4BH6RD · 699W4BH6RD
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
319 · H319-H335-H302+H312+H332-H315
Precautionary statements
261 · P261-P271-P280
HazardClass
IRRITANT
HS Code
2922290090 · 2922290090

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (66.7%)

Safety data

hs_code
2922290090
Signal word
Warning
Symbol(GHS)
GHS07
hazard_class
IRRITANT
Hazard statements
H319-H335-H302+H312+H332-H315
Precautionary statements
P261-P271-P280

Chemistry & industry

Upstream & downstream products

Downstream products

Mordant Brown 65

Suppliers

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Related reactions

3 records
New reaction record
HRID 193563 reaction equation
HRID 193563As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 1710205 reaction equation
HRID 1710205As reactantuspto-grants-1990_08
HRID 2324271 reaction equation
HRID 2324271As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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