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2-Naphthoic acid

2-Naphthoic acid structure

CAS No:
93-09-4
Formula:
C11H8O2
Chemical Name:
2-Naphthoic acid
Synonyms:
2-Naphthalenecarboxylic acid;2-Naphthoic acid;Isonaphthoic acid;2-Maythic acid;β-Naphthalenecarboxylic acid;β-Naphthoic acid;2-Carboxynaphthalene;2-Naphthylcarboxylic acid;NSC 59901
Categories:
Chemical Reagents > Organic Reagents

Description

Colorless solid

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.

2-Naphthoic acid Basic Attributes

Molecular Weight：

172.18

Exact Mass：

172.18

BRN：

972039

EC Number：

202-217-8

UNII：

QLG01V0W2L

NSC Number：

59901

DSSTox ID：

DTXSID1059078

HScode：

29163900

Characteristics

PSA：

37.30000

XLogP3：

3.3

Appearance：

White to beige Powder

Density：

0.9629 g/cm³

Melting Point：

185.5 °C

Boiling Point：

>300 °C

Flash Point：

205 °C

Refractive Index：

1.673

Water Solubility：

H2O: <0.5 g/L (20 C);alcohol: soluble

Storage Conditions：

Storage temperature: no restrictions.

Vapor Pressure：

6.63e-06 mmHg

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36-24/25-36/373/39

RTECS Number：

QL1050000

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 138 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

2-naphthoic acid

2-Naphthoic acid Use and Manufacturing

Methods of Manufacturing

From naphthylamine through sodium nitrite diazotization and conversion to synthesize naphthocarbonitrile, then through hydrolysis and neutralization to obtain 2-naphthoic acid.

Uses

Used as an organic synthesis intermediate and plant growth regulator. Used as a plant growth regulator, used as a plant growth stimulator, also used in organic synthesis

Manufacturing Info：

2-Naphthalenecarboxylic acid: ACTIVE

Computed Properties

Molecular Weight:172.18
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:172.052429494
Monoisotopic Mass:172.052429494
Topological Polar Surface Area:37.3
Heavy Atom Count:13
Complexity:200
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Carbon dioxide

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