2-Ethoxy-1-naphthoic acid

HCID 75210CAS 2224-00-2
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOc1ccc2ccccc2c1C(=O)O
InChIKey
MYFBSSDLYGWAHH-UHFFFAOYSA-N
Molecular formula
C13H12O3
Average molar mass
216.23 g/mol
Monoisotopic mass
216.07864424

Names & identifiers

Preferred name
2-Ethoxy-1-naphthoic acid
IUPAC
2-ethoxynaphthalene-1-carboxylic acid
English name
2-ETHOXY-1-NAPHTHOIC ACID
Molecular formula
C13H12O3
Molecular weight
216.23

Names & synonyms

2-Ethoxy-1-naphthoic acid2224-00-21-Naphthalenecarboxylic acid, 2-ethoxy-EINECS 218-745-7DTXSID9062277RefChem:471401DTXCID4036649218-745-72-ethoxynaphthalene-1-carboxylic acid2-ethoxynaphthoic acidMFCD000040082-ethoxynaphthalenecarboxylic acid
Show more names
RARECHEM AL BE 05662-Ethoxy-1-phthoic acid2-ETHOXYNAPHTOIC ACID, 98%2-Ethoxynaphthoic acid,98%2-Ethoxy-1-naphthoic acid, tech.Nafcillin 2-Ethoxynaphthoic Acid2-ethoxy-1-naphthalenecarboxylate
timtec-bb sbb0057712-Ethoxy-1-naphthoic Acid; 2-Ethoxy-1-naphthalenecarboxylic Acid2-ethoxy-1-naphthalenecarboxylic acid2-ethyloxy-1-naphthalenecarboxylic acidB8FF3KQ7VSSCHEMBL503962SCHEMBL303930292-Ethoxy-1-naphthoic acid, 97%

Database identifiers

CAS
2224-00-2
PubChem CID
75210
DTXSID
DTXSID9062277
UNII
B8FF3KQ7VS
EC Number
218-745-7
Nikkaji
J299.182I

Properties

Computed structural properties

XLogP
3
Topological polar surface area
46.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
16

Physicochemical properties

Melting point
141 · 141-145 °C
Boiling point
316.65 °C · 316.65°C (rough estimate)
Density
1.1652 · 1.1652 (rough estimate)
refractive index
1.509 · 1.5090 (estimate)
solubility
Methanol
form
Crystalline Powder

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (12.5%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (87.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (62.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 8 reports by companies from 5 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

Hazard Classes and CategoriesSkin Irrit. 2 (75%)；Eye Irrit. 2 (87.5%)；STOT SE 3 (62.5%)

Safety data

tsca
TSCA listed
hs_code
38220090
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1-Naphthalenecarboxylic acid, 2-ethoxy-: INACTIVE

Applications

Uses2-Ethoxynaphthalene-1-carboxylic Acid is used in the synthesis of various antistaphylococcic penicillins.

Upstream & downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
武汉灵灵九生物科技有限公司15623309010
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Related reactions

11 records
New reaction record

Linked notes

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