Ethyl 4-chlorobenzoate

HCID 81785

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Basic information

CAS: 7335-27-5
Standard SMILES: CCOC(=O)c1ccc(Cl)cc1
InChIKey: RWBYCMPOFNRISR-UHFFFAOYSA-N
Molecular formula: C9H9ClO2
Average molar mass: 184.62 g/mol
Monoisotopic mass: 184.02910721

Names & identifiers

Preferred name: Ethyl 4-chlorobenzoate
IUPAC: ethyl 4-chlorobenzoate
English name: ETHYL 4-CHLOROBENZOATE
Molecular formula: C9H9ClO2
Molecular weight: 184.62

Names & synonyms

Ethyl 4-chlorobenzoateEthyl p-chlorobenzoateBenzoic acid, 4-chloro-, ethyl esterp-(Ethoxycarbonyl)phenyl chlorideEthyl-4-chlorobenzoateBenzoic acid, p-chloro-, ethyl esterEINECS 230-844-7NSC 10859AI3-06083DTXSID9064631Parachlorobenzoic acid ethyl ester4-Chlorobenzoic acid, ethyl ester

Show more names

AKOS BBS-00004322RARECHEM AL BI 0077Tazarotene Impurity 8Tazarotene Impurity 3ETHYL-P-CHLOROBENZOATETazarotene Impurity 11P-chloro ethyl benzoateEthyl 4-Chlorobenzoate >Ethyl 4-chlorobenzoate, 98+%

RefChem:138760DTXCID6047523Benzoic acid, p-chloro-, ethyl ester (8CI)230-844-7RWBYCMPOFNRISR-UHFFFAOYSA-N7335-27-54-Chlorobenzoic Acid Ethyl EsterMFCD00013645

Database identifiers

CAS: 7335-27-5
PubChem CID: 81785
DTXSID: DTXSID9064631
UNII: JE48T446WC
EC Number: 230-844-7
Nikkaji: J212.334G

Properties

Computed structural properties

XLogP: 3.5
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: 151

Experimental & physicochemical properties

SpringerMaterials PropertiesDensity

Physicochemical properties

Melting point: 71 · 71-73 °C
Boiling point: 237 · 237-239°C
Density: 1 · 1,187 g/cm3
refractive index: 1.524 · 1.5240
Flash point: 237 · 237-239°C
storage temp.: Sealed in dry,Room Temperature
form: clear liquid
color: Colorless to Light yellow
BRN: 2045882 · 2045882
CAS DataBase Reference: 7335 · 7335-27-5(CAS DataBase Reference)
FDA UNII: 48 T446WC · JE48T446WC
EPA Substance Registry System: 4 · Benzoic acid, 4-chloro-, ethyl ester (7335-27-5)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264b-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362+P364-P403+P233-P501c
TSCA: TSCA listed
HS Code: 2916399090 · 2916399090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationChemical: Benzoic acid, 4-chloro-, ethyl ester

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

tsca: TSCA listed
hs_code: 2916399090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P261-P264b-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362+P364-P403+P233-P501c

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzoic acid, 4-chloro-, ethyl ester: ACTIVE

Applications

UsesEthyl 4-Chlorobenzoate is a useful research chemical for organic synthesis and other chemical processes.Is used in preparation of Orthocarboxylates via reaction of Carboxylates with Ethers.