Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >Organic Acid>Organic Intermediate>Pharmaceutical Intermediates
6-Hydroxy-2-naphthoic acid structure
6-Hydroxy-2-naphthoic acid structure

6-Hydroxy-2-naphthoic acid

Iupac Name:6-hydroxynaphthalene-2-carboxylic acid
CAS No.: 16712-64-4
Molecular Weight:188.182
Modify Date.: 2022-11-25 00:52
Introduction: 6-hydroxy-2-naphthoic acid is used for preparation engineering plastics, organic pigments, liquid crystal materials, medicine, particularly as a monomer of heat-resistant material. 6-Hydroxy-2-naphthoic acidSupplier View more+
1. Names and Identifiers
1.1 Name
6-Hydroxy-2-naphthoic acid
1.2 Synonyms

2-Hydroxy-6-naphthoic acid 2-Hydroxynaphthalene-6-carboxylic acid 2-Naphthalenecarboxylic acid, 6-hydroxy- 2-Naphthoic acid, 6-hydroxy- 2-NAPHTHOL-6-CARBOXYLIC ACID 6-Carboxy-2-naphthol 6-Hydroxy-2-naphthalenecarboxylic Acid 6-hydroxy-2-naphthalenecarboxylicacid 6-hydroxy-2-naphthoicaci 6-hydroxy-2-napthalenecarboxylicaci 6-HYDROXY-2-NAPTHOIC ACID 6-hydroxy-beta-naphthoicacid 6-hydroxynaphthalene-2-carboxylic acid 6-hydroxynaphthalene-2-carboxylicacid 6-Hydroxynaphthylene-2-carboxylic acid 6-Hydroxy-β-naphthoic acid EINECS 240-759-7 MFCD00060070 NSC 148862 NSC 689433

View all
1.3 CAS No.
16712-64-4
1.4 CID
85557
1.5 EINECS(EC#)
240-759-7
1.6 Molecular Formula
C11H8O3 (isomer)
1.7 Inchi
InChI=1S/C11H8O3/c12-10-4-3-7-5-9(11(13)14)2-1-8(7)6-10/h1-6,12H,(H,13,14)
1.8 InChIkey
KAUQJMHLAFIZDU-UHFFFAOYSA-N
1.9 Canonical Smiles
C1=CC2=C(C=CC(=C2)O)C=C1C(=O)O
1.10 Isomers Smiles
C1=CC2=C(C=CC(=C2)O)C=C1C(=O)O
2. Properties
2.1 Density
1.399
2.1 Melting point
240-250℃
2.1 Boiling point
407 °C at 760 mmHg
2.1 Refractive index
1.6400 (estimate)
2.1 Flash Point
214.1 °C
2.1 Precise Quality
188.04700
2.1 PSA
57.53000
2.1 logP
2.24360
2.1 Appearance
gray crystal powder
2.2 Storage
Ambient temperatures.
2.3 Chemical Properties
pale brown powder
2.4 Color/Form
Pale brown
2.5 pKa
4.34±0.30(Predicted)
3. Use and Manufacturing
3.1 GHS Classification
Signal: Danger
GHS Hazard Statements
Aggregated GHS information provided by 18 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Reported as not meeting GHS hazard criteria by 8 of 18 companies. For more detailed information, please visit ECHA C&L website

Of the 6 notification(s) provided by 10 of 18 companies with hazard statement code(s):

H302 (40%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (70%): Causes skin irritation [Warning Skin corrosion/irritation]
H318 (30%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
H319 (70%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (60%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
H412 (30%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown.

Precautionary Statement Codes
P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
View all
3.2 Usage
6-hydroxy-2-naphthoic acid is used for preparation engineering plastics, organic pigments, liquid crystal materials, medicine, particularly as a monomer of heat-resistant material. 6-Hydroxy-2-naphthoic acidSupplier
4. Safety and Handling
4.1 Hazard Codes
Xi
4.1 Risk Statements
R36/37/38
4.1 Safety Statements
S26;S37/39
4.1 WGK Germany
3
4.1 RTECS
QN3722500
4.1 Specification

The 2-Naphthalenecarboxylicacid, 6-hydroxy-, with the cas registry number 16712-64-4, has the systematic name of 6-hydroxynaphthalene-2-carboxylic acid. This is a kind of pale brown powder, and its product categories are including Intermediates of Dyes and Pigments; Naphthalene derivatives; Carboxylic; Bifunctional Compounds (Building Blocks for Liquid Crystals); Building Blocks for Liquid Crystals; Chalcones, etc. (Building Blocks for Liquid Crystals); Functional Materials; C11 to C12; Carbonyl Compounds; Carboxylic Acids. Besides, it is usually used in pharmaceutic, painting and so on.

The characteristics of this chemical are as follows: (1)ACD/LogP: 2.39; (2)ACD/LogD (pH 5.5): 1.14; (3)ACD/LogD (pH 7.4): -0.45; (4)ACD/BCF (pH 5.5): 2.19; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 26.99; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 35.53; (12)Index of Refraction: 1.716; (13)Molar Refractivity: 52.9 cm3; (14)Molar Volume: 134.5 cm3; (15)Polarizability: 20.97 ×10-24 cm3; (16)Surface Tension: 69.4 dyne/cm; (17)Density: 1.399 g/cm3; (18)Flash Point: 214.1 °C; (19)Enthalpy of Vaporization: 69.47 kJ/mol; (20)Boiling Point: 407 °C at 760 mmHg; (21)Vapour Pressure: 2.35E-07 mmHg at 25°C; (22)Exact Mass: 188.047344; (23)MonoIsotopic Mass: 188.047344; (24)Topological Polar Surface Area: 57.5; (25)Heavy Atom Count: 14; (26)Formal Charge: 0; (27)Complexity: 227.

Production method of 2-Naphthalenecarboxylicacid, 6-hydroxy- is as below: 6-bromo-naphthalen-2-ol could react with carbon monoxide to produce 2-Naphthalenecarboxylicacid, 6-hydroxy-, with the following condition: reagent: NaOH; catalytic agent: C2H5OOCCH2Co(CO)4; solvent: methanol; reaction time: 25 - 35 ℃; yield: 48%.

Use of 2-Naphthalenecarboxylicacid, 6-hydroxy-: acetic acid anhydride could react with 2-Naphthalenecarboxylicacid, 6-hydroxy- to produce 6-acetoxy-[2]naphthoic acid, with the following condition: reagent: pyridine; reaction time: 2.5 hours; yield: 93%; other condition: ambient temperature.

When deal with this chemical, you should be very cautious. Being irritating to eyes, respiratory system and skin, it may cause inflammation to the skin or other mucous membranes. Therefore, you should take the following instructions. Wear suitable gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

In addition, you could obtain the molecular structure by converting the following datas:
(1)SMILES:O=C(O)c1ccc2c(c1)ccc(O)c2
(2)InChI:InChI=1/C11H8O3/c12-10-4-3-7-5-9(11(13)14)2-1-8(7)6-10/h1-6,12H,(H,13,14)

Below are the toxicity information of this chemical:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 3080mg/kg (3080mg/kg) PERIPHERAL NERVE AND SENSATION: SENSORY CHANGE INVOLVING PERIPHERAL NERVE

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

GASTROINTESTINAL: OTHER CHANGES
National Technical Information Service. Vol. OTS0534748,

View all
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Serious eye damage, Category 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H302 Harmful if swallowed

H318 Causes serious eye damage

H412 Harmful to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P273 Avoid release to the environment.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P310 Immediately call a POISON CENTER/doctor/\u2026

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

8. Other Information
8.0 Manufacturing Info
Plastic material and resin manufacturing|2-Naphthalenecarboxylic acid, 6-hydroxy-: ACTIVE
8.1 BRN
2692084
8.2 Chemical Properties
pale brown powder
8.3 Uses
6-hydroxy-2-naphthoic acid is used for preparation engineering plastics, organic pigments, liquid crystal materials, medicine, particularly as a monomer of heat-resistant material.
9. Computational chemical data
  • Molecular Weight: 188.182g/mol
  • Molecular Formula: C11H8O3
  • Compound Is Canonicalized: True
  • XLogP3-AA: null
  • Exact Mass: 188.047344113
  • Monoisotopic Mass: 188.047344113
  • Complexity: 227
  • Rotatable Bond Count: 1
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Topological Polar Surface Area: 57.5
  • Heavy Atom Count: 14
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count: 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Isotope Atom Count: 0
  • Covalently-Bonded Unit Count: 1
  • CACTVS Substructure Key Fingerprint: AAADccBwMAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAADBUAAAGgAACAAADASAmAAwDsAAAgCIAiDSCAACAAAkIAAIiAEGCMgIJjKCFRKAcQAkwBEImYeIyPCO4AADAAAQAADAAAYAACAAAAAAAAAAAA==
10. Recommended Suppliers
Global98SuppliersView all >>
  • Products:API,fine chemical&its intermediates,biological chemistry
  • Tel:0086-27-59207850
  • Email:info@fortunachem.com
6-Hydroxy-2-naphthoic acid CAS 16712-64-4
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 10 USD/kg
  • Time: 2023/09/21
Inquire
  • Products:Manufacture & Supply Biopharm Chemical, Specialty Chemical, PetroChemical.
  • Tel:86-592-8883942
  • Email:sale@amitychem.com
Factory Supply 6-hydroxy-2-naphthoic acid
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 0.1 USD/kilogram
  • Time: 2023/06/28
Inquire
  • Products:Chemical products
  • Tel:86-571-88938639
  • Email:sales-gc@dycnchem.com
6-hydroxy-2-naphthoic acid
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/kilogram
  • Time: 2023/09/20
Inquire
  • Products:Cosmetic Raw Materials,solvents,etc.
  • Tel:86-311-66562153
  • Email:spring@crovellbio.com
6-Hydroxy-2-naphthoic acid CAS 16712-64-4
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 20 USD/kilogram
  • Time: 2023/09/20
Inquire
  • Products:We ZERchem, facing global High-tech pharmaceutical raw materials, high value-added new type intermediates fine chemicals custom synthesis, scale-up production and rare chemicals trade.
  • Tel:+86-571-82512721
  • Email:sales@zeerrui.com
6-Hydroxy-2-naphthoic acid
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2023/09/19
Inquire
11. Realated Product Infomation