2-Naphthoic acid

HCID 7123CAS 93-09-4
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(O)c1ccc2ccccc2c1
InChIKey
UOBYKYZJUGYBDK-UHFFFAOYSA-N
Molecular formula
C11H8O2
Average molar mass
172.18 g/mol
Monoisotopic mass
172.05242949

Names & identifiers

Preferred name
2-Naphthoic acid
IUPAC
naphthalene-2-carboxylic acid
English name
2-Naphthoic acid
Molecular formula
C11H8O2
Molecular weight
172.18

Names & synonyms

2-Naphthoic acid93-09-42-Naphthalenecarboxylic acidNAPHTHALENE-2-CARBOXYLIC ACIDIsonaphthoic acidbeta-Naphthoic acidQLG01V0W2LNSC-59901DTXSID1059078CHEBI:36106RefChem:477100DTXCID2048828
Show more names
2-naphthoicnaphthalene-2-carboxylate0/4/932-maythicacid2-phthoic acid2-NAPHTOIC ACIDB-NAPHTHOIC ACID3-Naphthoic acid
202-217-82-Carboxynaphthalene2-Maythic acidMFCD00004101.beta.-Naphthoic acidNaphthalene-beta-carboxylic acidEINECS 202-217-8NSC 59901

Database identifiers

CAS
93-09-4
PubChem CID
7123
DTXSID
DTXSID1059078
ChEMBL
CHEMBL114648
ChEBI
CHEBI:36106
UNII
QLG01V0W2L
EC Number
202-217-8
Nikkaji
J10.599F

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
37.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
13

Experimental & physicochemical properties

Flash Point205 °C
Physical DescriptionCrystals from 95% alcohol; [Merck Index] Colorless solid, almost insoluble in water; [MSDSonline]
Dissociation Constants4.18
Kovats Retention Index289.55

Physicochemical properties

Melting point
185 · 185-187 °C(lit.)
Boiling point
300 °C · 300 °C
Density
1.08 · 1.08
refractive index
1.552 · 1.5520 (estimate)
Flash point
205 °C · 205 °C
storage temp.
Sealed in dry,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (98%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 49 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory Information · 2 items

Chemical: 2-Naphthalenecarboxylic acid

2-Naphthalenecarboxylic acid: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryModerate skin and mucous membrane irritant; [Merck Index] See 3-Hydroxy-2-naphthalenecarboxylic acid.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (98%)

Regulatory information

Regulatory Information · 2 items

Chemical: 2-Naphthalenecarboxylic acid

2-Naphthalenecarboxylic acid: Does not have an individual approval but may be used under an appropriate group standard

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
2
tsca
TSCA listed
rtecs
QL1050000
hs_code
29163900
risk_code
36/37/38

Chemistry & industry

Uses & manufacturing

General Manufacturing Information2-Naphthalenecarboxylic acid: ACTIVE
Applications · 2 items

Uses2-Naphthoic acid is an unprotected acid undergoes lithiation, e.g. with s-BuLi, by stereospecific 1,4-addition, providing a facile route to 1,2,2-trisubstituted 1,2-dihydronaphthalenes. It is also used as an intermediate in organic synthesis. The fluorescence spectra and electronic absorption of 2-naphthoic acid was studied.

General Description2-Naphthoic acid (NPA) is a noncompetitive N-methyl-D-aspartate (NMDA) receptor inhibitor. The fluorescence spectra and electronic absorption of 2-naphthoic acid was studied.

Upstream & downstream products

Upstream raw materials

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

Additional notes

DefinitionChEBI: 2-naphthoic acid is a naphthoic acid that is naphthalene carrying a carboxy group at position 2. It has a role as a xenobiotic metabolite and a mouse metabolite. It is a conjugate acid of a 2-naphthoate.

Related reactions

146 records
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Linked notes

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