Ethyl 4-chlorobutyrate (HCID 18474)

Names & identifiers

Preferred name: Ethyl 4-chlorobutyrate
IUPAC: ethyl 4-chlorobutanoate
English name: Ethyl 4-chlorobutyrate
Molecular formula: C6H11ClO2
Molecular weight: 150.6

Names & synonyms

Ethyl 4-chlorobutyrateETHYL 4-CHLOROBUTANOATE3153-36-4Butanoic acid, 4-chloro-, ethyl esterEthyl gamma-chlorobutyrateButyric acid, 4-chloro-, ethyl esterNSC 812154-Chlorobutyric Acid Ethyl Ester6TM3R4X5CXEthyl .gamma.-chlorobutyrate4-Chlorobutanoic acid ethyl estergamma-Chlorobutyric acid ethyl ester

Show more names

orobutyrateLevetiracetam-13Ethyl-y-ChlorobutyrateEthyl γ-ChlorobutyrateEthyl ω-Chlorobutyrateethyle4-chlorobutyrate

EINECS 221-591-3NSC-81215Ethyl .omega.-chlorobutyrateCl(CH2)3C(O)OC2H5OPXNFHAILOHHFO-UHFFFAOYSA-DTXSID90185431.gamma.-Chlorobutyric acid ethyl esterEthyl 4chlorobutanoate

Database identifiers

CAS: 3153-36-4
PubChem CID: 18474
DTXSID: DTXSID90185431
UNII: 6TM3R4X5CX
EC Number: 221-591-3
Nikkaji: J26.254D

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 9
Formal charge: 0
Complexity: 83.1

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Halogenated Esters

SpringerMaterials PropertiesOptical coefficient

Physical DescriptionColorless liquid; [Alfa Aesar MSDS]

Physicochemical properties

Boiling point: 186 °C · 186 °C(lit.)
Density: 1.075 g/mL · 1.075 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.432(lit.)
Flash point: 125 °F · 125 °F
storage temp.: Flammables area
form: Liquid
color: Clear yellow to brownish
Water Solubility: Insoluble
BRN: 1098810 · 1098810
InChI: InChI=1S/C6H11ClO2/c1-2-9-6(8)4-3-5-7/h2-5H2,1H3
InChIKey: OPXNFHAILOHHFO-UHFFFAOYSA-N
SMILES: C(OCC)(=O)CCCCl
CAS DataBase Reference: 3153 · 3153-36-4(CAS DataBase Reference)
FDA UNII: 6 TM3R4X5CX · 6TM3R4X5CX
NIST Chemistry Reference: 4 · Butanoic acid, 4-chloro-, ethyl ester(3153-36-4)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335-H227
Precautionary statements: 501 · P501-P261-P210-P271-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313-P304+P340+P312-P403+P233-P403+P235-P405
target organs: Respiratory system
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-22-10
Safety Statements: 26 · 26-36-37/39-16-24/25
RIDADR: 1993 · 1993
WGK Germany: 3 · 3
F: 21 · 21
HazardClass: 3.2 · 3.2
PackingGroup: III
HS Code: 29159000 · 29159000
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (69%): Harmful if swallowed [Warning Acute toxicity, oral]

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 58 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Chemical: Butanoic acid, 4-chloro-, ethyl ester

Ethyl 4-chlorobutyrate: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See Methyl dichloroacetate.

Hazard Classes and CategoriesAcute Tox. 4 (69%)

Safety data

F: 21
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: 1993
hs_code: 29159000
risk_code: 36/37/38-22-10
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn
safety_code: 26-36-37/39-16-24/25
hazard_class: 3.2
Storage Class: 10 - Combustible liquids
packing_group: III
target organs: Respiratory system
Hazard statements: H315-H319-H335-H227
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P501-P261-P210-P271-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313-P304+P340+P312-P403+P233-P403+P235-P405