1-Naphthalenecarbonyl chloride, 2-ethoxy-

HCID 108679
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Substructure searchFind similar structures

Basic information

CAS
55150-29-3
Standard SMILES
CCOc1ccc2ccccc2c1C(=O)Cl
InChIKey
ZRVFFIXOCFUHDA-UHFFFAOYSA-N
Molecular formula
C13H11ClO2
Average molar mass
234.68 g/mol
Monoisotopic mass
234.0447573

Names & identifiers

Preferred name
1-Naphthalenecarbonyl chloride, 2-ethoxy-
IUPAC
2-ethoxynaphthalene-1-carbonyl chloride
English name
2-Ethoxynaphthalene-1-carbonyl chloride
Molecular formula
C13H11ClO2
Molecular weight
234.68

Names & synonyms

55150-29-32-Ethoxynaphthalene-1-carbonyl chloride1-Naphthalenecarbonyl chloride, 2-ethoxy-EINECS 259-502-5DTXSID4069002RefChem:434764DTXCID6041842259-502-52-Ethoxy-1-naphthoyl ChlorideMFCD000464262-Ethoxy-1-naphthoylchloride2-ethoxy naphthoyl chloride
Show more names
Side chain of Nafcillin2-ETHOXYNAPHTHOYLCHLORIDE2-ethoxy-1-naphthalenecarbonylchlorid2-Ethoxy-1-naphtharenecatbonylchloride2-Ethoxy-1-naphthalenecarbonyl chloride2-ETHOXY-1-NAPHTHARENCEATBONYL CHLORIDE
SCHEMBL627877STR04416AKOS0052072892-Ethoxy-naphthalene-1-carbonyl chlorideSY473467DB-021011CS-0327001NS00033248

Database identifiers

CAS
55150-29-3
PubChem CID
108679
DTXSID
DTXSID4069002
EC Number
259-502-5
Nikkaji
J326.746F

Properties

Computed structural properties

XLogP
4
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
16

Physicochemical properties

Melting point
76 · 76-80°C
Boiling point
344.25 ℃[at · 344.25℃[at 101 325 Pa]
Density
1.232 · 1.232±0.06 g/cm3(Predicted)
vapor pressure
0.004 Pa · 0.004Pa at 25℃
Water Solubility
54.75 mg/L · 54.75mg/L at 25℃
Sensitive
Moisture Sensitive

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (36.4%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (81.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (18.2%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (18.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (36.4%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P332+P317, P337+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 11 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

Regulatory InformationStatus: Active Update: 18-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/20998；Status: Active Update: 07-10-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/24446
Hazard Classes and CategoriesAcute Tox. 4 (36.4%)；Skin Corr. 1C (81.8%)；Skin Irrit. 2 (18.2%)；Eye Irrit. 2 (18.2%)；Acute Tox. 4 (36.4%)

Regulatory information

Regulatory InformationStatus: Active Update: 18-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/20998；Status: Active Update: 07-10-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/24446

Safety data

tsca
TSCA listed
ridadr
3265
hs_code
29163990
risk_code
34
Symbol(GHS)
GHS05
safety_code
26-36/37/39

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1-Naphthalenecarbonyl chloride, 2-ethoxy-: INACTIVE

Applications

Uses2-Ethoxynaphthalene-1-carbonyl chloride is an intermediate of ethoxynaphthylpenicillin sodium.

Upstream & downstream products

Suppliers53 total

北京华美互利生物化工010-56205725 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]

Related reactions

12 records
New reaction record

Compound notes

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