2-Ethoxybenzoyl chloride

HCID 3016397

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 42926-52-3
Standard SMILES: CCOc1ccccc1C(=O)Cl
InChIKey: MDKAAWDKKBFSTK-UHFFFAOYSA-N
Molecular formula: C9H9ClO2
Average molar mass: 184.62 g/mol
Monoisotopic mass: 184.02910721

Names & identifiers

Preferred name: 2-Ethoxybenzoyl chloride
IUPAC: 2-ethoxybenzoyl chloride
English name: 2-Ethoxybenzoyl chloride
Molecular formula: C9H9ClO2
Molecular weight: 184.62

Names & synonyms

2-Ethoxybenzoyl chloride42926-52-3EINECS 256-003-4DTXSID20195568RefChem:86835DTXCID60118059256-003-4o-Ethoxybenzoyl chloride2-ethoxybenzoylchlorideMFCD00016348Sildenafil Chloride ImpurityBenzoyl chloride, 2-ethoxy-

Show more names

SKL12942-Ethoxybenzoyl chloEthoxybenzoyl chloridEthoxybenzoyl chlorideSildenafil Impurity 58Sildenafil Impurity Ⅴ-1Sildenafil Impurity IV-1

Sildenafil Impurity 12-Ethoxy-benzoyl ChlorideSCHEMBL9902-ethoxy--benzoyl chloride2-ethoxybenzoic acid chloride2-Ethoxybenzoyl chloride, 97%AKOS009158892FE36831

Database identifiers

CAS: 42926-52-3
PubChem CID: 3016397
DTXSID: DTXSID20195568
EC Number: 256-003-4
Nikkaji: J310.005G

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 159

Physicochemical properties

Boiling point: 114 · 114-118°C 5mm
Density: 1.19 · 1.19
refractive index: 1.553 · 1.553
Flash point: 110 · >110
storage temp.: Inert atmosphere,Room Temperature
solubility: soluble in Benzene
form: clear liquid
color: Colorless to Light yellow
Sensitive: Moisture Sensitive
Stability: Hygroscopic, Moisture sensitive
InChI: InChI=1S/C9H9ClO2/c1-2-12-8-6-4-3-5-7(8)9(10)11/h3-6H,2H2,1H3
InChIKey: MDKAAWDKKBFSTK-UHFFFAOYSA-N
SMILES: C(Cl)(=O)C1=CC=CC=C1OCC
CAS DataBase Reference: 42926 · 42926-52-3(CAS DataBase Reference)
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314-H318
Precautionary statements: 260 h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a · P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
Hazard Codes: C
Risk Statements: 34 · 34-22
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 3265 · 3265
Hazard Note: Corrosive/Moisture Sensitive
HazardClass: 8 · 8
PackingGroup: II
HS Code: 2916399090 · 2916399090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (88.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (88.9%)

Safety data

ridadr: 3265
hs_code: 2916399090
risk_code: 34-22
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
hazard_note: Corrosive/Moisture Sensitive
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: II
Hazard statements: H314-H318
Precautionary statements: P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a