CAS 535-15-9 Ethyl dichloroacetate (HCID 10808)

Names & identifiers

Preferred name: Ethyl dichloroacetate
IUPAC: ethyl 2,2-dichloroacetate
English name: ETHYL DICHLOROACETATE
Molecular formula: C4H6Cl2O2
Molecular weight: 157

Names & synonyms

ETHYL DICHLOROACETATEAcetic acid, 2,2-dichloro-, ethyl esterAI3-28936EINECS 208-611-6NSC 27788DTXSID7060205RefChem:138911DTXCID4041448208-611-6InChI=1/C4H6Cl2O2/c1-2-8-4(7)3(5)6/h3H,2H2,1HIWYBVQLPTCMVFO-UHFFFAOYSA-N535-15-9

Show more names

DICHLOROACETIC ACID ETHYL ESTERETHYL DICHLOROACETATE FOR SYNTHESISNSC 6748EthyldichloracetatRARECHEM AL BI 0385ethyl 1,1-dichloroacetate

Ethyl 2,2-dichloroacetateAcetic acid, dichloro-, ethyl esterDichloroacetic acid, ethyl esterEthyl dichloroethanoateGZT46P7R49MFCD00018858NSC-27788Ethyldichloroacetate

Database identifiers

CAS: 535-15-9
PubChem CID: 10808
DTXSID: DTXSID7060205
UNII: GZT46P7R49
EC Number: 208-611-6
Nikkaji: J133.516B

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 8
Formal charge: 0
Complexity: 82.1

Experimental & physicochemical properties

SpringerMaterials PropertiesBoiling point

Physicochemical properties

Boiling point: 54 · 54-55 °C11 mm Hg(lit.)
Density: 1.28 g/mL · 1.28 g/mL at 20 °C(lit.)
refractive index: 20 · n20/D 1.438
Flash point: 62 °C · 62 °C
form: liquid
color: Clear, colourless
BRN: 773995 · 773995
Dielectric constant: 10 · 10.0(22℃)
InChI: 1S/C4H6Cl2O2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3
InChIKey: IWYBVQLPTCMVFO-UHFFFAOYSA-N
SMILES: CCOC(=O)C(Cl)Cl
FDA UNII: 46 P7R49 · GZT46P7R49
EPA Substance Registry System: Acetic acid, dichloro-, ethyl ester (535-15-9)
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: Xn
Risk Statements: 20 · 20/21-36/37
Safety Statements: 23 · 23-26-36
RIDADR: 2810 · UN 2810 6.1/PG 3
WGK Germany: 3 · 3
TSCA: TSCA listed
HS Code: 2915907098 · 2915907098
Storage Class: 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: 4 DermalEye · Acute Tox. 4 DermalEye Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H312 (97.5%): Harmful in contact with skin [Warning Acute toxicity, dermal]

P261, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Chemical: Acetic acid, dichloro-, ethyl ester

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

Hazard Classes and CategoriesAcute Tox. 4 (97.5%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
ridadr: UN 2810 6.1/PG 3
hs_code: 2915907098
risk_code: 20/21-36/37
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 23-26-36
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
target organs: Respiratory system
Hazard statements: H315-H319-H335-H227
Hazard Classifications: Acute Tox. 4 DermalEye 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