3-Methoxy-2-naphthoic acid

HCID 70161
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Basic information

CAS
883-62-5
Standard SMILES
COc1cc2ccccc2cc1C(=O)O
InChIKey
RTBQQRFTCVDODF-UHFFFAOYSA-N
Molecular formula
C12H10O3
Average molar mass
202.21 g/mol
Monoisotopic mass
202.06299418

Names & identifiers

Preferred name
3-Methoxy-2-naphthoic acid
IUPAC
3-methoxynaphthalene-2-carboxylic acid
English name
3-Methoxy-2-naphthoic acid
Molecular formula
C12H10O3
Molecular weight
202.21

Names & synonyms

3-Methoxy-2-naphthoic acid2-Naphthalenecarboxylic acid, 3-methoxy-2-Methoxy-3-naphthoic acidEINECS 212-932-7NSC 36216NSC-362163-methoxy-2-naphthalenecarboxylic acidPK966S8655DTXSID9061259UNII-PK966S8655RefChem:94570DTXCID0048634
Show more names
3-Methoxy-2-naphthoicAcid>2-Naphthoic acid, 3-methoxy-3-Methoxy-2-naphthoic acid 98%3-methoxy-2-naphthalenecarboxylicaci3-Methoxy-naphthalen-2-carboxylic acid
RTBQQRFTCVDODF-UHFFFAOYSA-N883-62-53-methoxynaphthalene-2-carboxylic acid2-Naphthoic acid, 3-methoxy-MFCD00094168NSC362163-Methoxy-naphthalene-2-carboxylic acidOprea1_566268

Database identifiers

CAS
883-62-5
PubChem CID
70161
DTXSID
DTXSID9061259
ChEMBL
CHEMBL1565790
UNII
PK966S8655
EC Number
212-932-7
Nikkaji
J195.179C

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
46.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
15

Experimental & physicochemical properties

SpringerMaterials PropertiesAngular frequency

Physicochemical properties

Melting point
133 · 133-136 °C (lit.)
Boiling point
358.8 · 358.8±17.0 °C(Predicted)
Density
1.263 · 1.263±0.06 g/cm3(Predicted)
storage temp.
Store at room temperature
solubility
soluble in Methanol
form
powder to crystal

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
tsca
TSCA listed
hs_code
2918.99.4700
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Uses & manufacturing

General Manufacturing Information2-Naphthalenecarboxylic acid, 3-methoxy-: INACTIVE
Applications · 2 items

Uses3-Methoxy-2-naphthoic acid may be used in the synthesis of N-[p-N,N-dimethylanilino)-3-methoxy-2-naphtho]hydroxamic acid (DAMNHA).

General Description3-Methoxy-2-naphthoic acid is a naphthoic acid derivative. 3-Methoxy-2-naphthoic acid can be prepared from 3-hydroxy-2-naphthoic acid, via methylation. It undergoes reduction under the following reaction conditions:in the presence of Li and NH4Cl to afford 1,2,3,4-tetrahydro-2-naphthoic acidby using Li, NH4Cl and anhydrous FeCl3 to afford 3-methoxy-1, 2-dihydro-2-naphthoic acidin anhydrous ether, liquid ammonia, lithium wire and anhydrous ethanol to afford 1,2,3,4-tetrahydro-2-naphthoic acid

Upstream & downstream products

Suppliers62 total

南京波普生物医药研发有限公司025-87138562 18951783565 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]

Related reactions

29 records
New reaction record

Compound notes

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