Basic information
- CAS
5417-63-0- Standard SMILES
Nc1cc2ccccc2cc1O- InChIKey
ZHVPTERSBUMMHK-UHFFFAOYSA-N- Molecular formula
- C10H9NO
- Average molar mass
- 159.18 g/mol
- Monoisotopic mass
- 159.06841391
Overview
structure given in first source
Names & identifiers
- Preferred name
- 3-Amino-2-naphthol
- IUPAC
- 3-aminonaphthalen-2-ol
- English name
- 3-Amino-2-naphthol
- Molecular formula
- C10H9NO
- Molecular weight
- 159.18
Names & synonyms
3-Amino-2-naphthol5417-63-02-Naphthalenol, 3-amino-2-Amino-3-hydroxynaphthalene2-Naphthol, 3-amino-29BKE27D17NSC-7941DTXSID80202520RefChem:497066DTXCID10125011226-519-43-aminonaphthalen-2-ol
Show more names
NSC 79412-AMINO-2-NAPHTHOL3-Amino-beta-naphthol3-Amino-2-naphthol>LABOTEST-BB LT00080648
3-amino-2-naphthalenol3-Amino-2-hydroxynaphthalene2-Amino-3-naphtholMFCD000041133 amino 2 naphthol3-amino-naphthalen-2-ol3-hydroxy-2-naphthylamineSCHEMBL140478
Database identifiers
- CAS
5417-63-0- PubChem CID
- 79449
- DTXSID
DTXSID80202520- UNII
- 29BKE27D17
- EC Number
- 226-519-4
- Nikkaji
- J217.993H
Properties
Computed structural properties
- XLogP
- 2.1
- 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
- 229 · 229-230 °C (lit.)
- Boiling point
- 343.5 · 343.5±25.0 °C(Predicted)
- Density
- 1.281 · 1.281±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 9.36 · 9.36±0.40(Predicted)
- color
- Pale Beige to Beige
- InChI
- InChI=1S/C10H9NO/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-6,12H,11H2
- InChIKey
- ZHVPTERSBUMMHK-UHFFFAOYSA-N
- SMILES
- C1=C2C(C=CC=C2)=CC(N)=C1O
- CAS DataBase Reference
- 5417 · 5417-63-0(CAS DataBase Reference)
- FDA UNII
- 29 BKE27D17 · 29BKE27D17
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 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 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29222990
- risk_code
- 20/21/22-36/37/38-40
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS08
- hazard_code
- Xn,Xi
- hazard_note
- Harmful/Irritant
- safety_code
- 26-36/37/39-45
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302+H312+H332-H315-H319-H335-H351
- Hazard Classifications
- Acute Tox. 4 OralCarc. 2Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemistry & industry
Applications
Uses3-Amino-2-naphthol was used in the synthesis of 2-naphthyl-3-NHSO2CF3, 1-naphthyl-5-NHSO2CF3, benzoquinolinequinone and 3-chloro-2-napthol.
Upstream & downstream products
Upstream raw materials
Suppliers90 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Related reactions
20 records
Compound notes
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