Ethyl 6-(Chloroformyl)hexanoate

HCID 543232

Notes Reactions

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Basic information

CAS: 14794-32-2
Standard SMILES: CCOC(=O)CCCCCC(=O)Cl
InChIKey: NYZNYLOIPHDFKS-UHFFFAOYSA-N
Molecular formula: C9H15ClO3
Average molar mass: 206.66 g/mol
Monoisotopic mass: 206.07097202

Names & identifiers

Preferred name: Ethyl 6-(Chloroformyl)hexanoate
IUPAC: ethyl 7-chloro-7-oxoheptanoate
English name: 6-(CHLOROFORMYL)HEXANOIC ACID ETHYL ESTER
Molecular formula: C9H15ClO3
Molecular weight: 206.67

Names & synonyms

14794-32-2Ethyl 6-(Chloroformyl)hexanoateDTXSID20337527RefChem:344482DTXCID10288615679-653-46-(Chloroformyl)hexanoic Acid Ethyl EsterEthyl 7-chloro-7-oxoheptanoateHeptanoic acid, 7-chloro-7-oxo-, ethyl esterMFCD00671507ethyl 6-chloroformylhexanoateSCHEMBL134876

Show more names

Pimelic acid ethyl ester chlorideChloroformylhexanoicacidethylesterEthyl 6-(Chloroformyl)hexanoate >7-Chloro-7-oxoheptanoic acid ethyl ester6-CHLOROCARBONYL-HEXANOIC ACID ETHYL ESTER6-(CHLOROFORMYL)HEXANOIC ACID ETHYL ESTER 97+%

ethyl 7-chloro-7-oxo-heptanoateethyl 6-(chloroformyl)-hexanoateEthyl 7-chloro-7-oxoheptanoate #AKOS0159140806-Chlorocarbonylhexanoic acid ethyl esterBS-43885DB-0429056-(CHLOROFORMYL)HEXANOICACIDETHYLESTER

Database identifiers

CAS: 14794-32-2
PubChem CID: 543232
DTXSID: DTXSID20337527
EC Number: 679-653-4

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 43.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 8
Heavy atoms: 13
Formal charge: 0
Complexity: 168

Physicochemical properties

Boiling point: 141 °C · 141 °C / 17.5mmHg
Density: 1 · 1,08 g/cm3
refractive index: 1.444 · 1.4440-1.4470
form: clear liquid
color: Colorless to Light yellow
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 315 · H315-H319-H335-H290-H314
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P501a-P234-P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P390-P405-P406-P501
Risk Statements: 10 · 10-34
Safety Statements: 16 · 16-24/25
RIDADR: 3265 · 3265
HS Code: 2917.19 · 2917.19.7050
HazardClass: 8 · 8
PackingGroup: III

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H290 (20%): May be corrosive to metals [Warning Corrosive to Metals]

P234, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 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 CategoriesMet. Corr. 1 (20%)

Safety data

ridadr: 3265
hs_code: 2917.19.7050
risk_code: 10-34
Signal word: Danger
Symbol(GHS): GHS05,GHS07
safety_code: 16-24/25
hazard_class: 8
packing_group: III
Hazard statements: H315-H319-H335-H290-H314
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P501a-P234-P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P390-P405-P406-P501