Allyl chloroacetate

HCID 76206CAS 2916-14-5

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Basic information

Standard SMILES: C=CCOC(=O)CCl
InChIKey: VMBJJCDVORDOCF-UHFFFAOYSA-N
Molecular formula: C5H7ClO2
Average molar mass: 134.56 g/mol
Monoisotopic mass: 134.0134572

Names & identifiers

Preferred name: Allyl chloroacetate
IUPAC: prop-2-enyl 2-chloroacetate
English name: Allyl chloroacetate
Molecular formula: C5H7ClO2
Molecular weight: 134.56

Names & synonyms

Allyl chloroacetate2916-14-5Acetic acid, chloro-, 2-propenyl esterEINECS 220-839-8AI3-18419DTXSID90183417NSC 44997RefChem:554850DTXCID00105908220-839-8InChI=1/C5H7ClO2/c1-2-3-8-5(7)4-6/h2H,1,3-4HAllyl 2-chloroacetate

Show more names

ALLYL-(CHLORACETAT)Allyl Chloroacetate >Allyl chloroacetate, 98 %Ethyl Acetate Impurity 138Allyl chloroacetate, 98% 5ML2-Propen-1-yl 2-chloroacetate

Chloroacetic acid allyl esterprop-2-enyl 2-chloroacetateAcetic acid, 2-chloro-, 2-propen-1-yl esterMFCD00058936Allyl chloroacetate, 98%Allyl 2-chloroacetate;Allyl 2-chloroacetateprop-2-en-1-yl 2-chloroacetateAcetic acid, chloro-, allyl ester

Database identifiers

CAS: 2916-14-5
PubChem CID: 76206
DTXSID: DTXSID90183417
EC Number: 220-839-8
Nikkaji: J148.025A

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 8
Formal charge: 0
Complexity: 90

Physicochemical properties

Boiling point: 164 °C265 · 164 °C265 mm Hg(lit.)
Density: 1.159 g/mL · 1.159 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.446(lit.)
Flash point: 142 °F · 142 °F
storage temp.: Sealed in dry,Room Temperature
form: Liquid
Specific Gravity: 1.159 · 1.159
color: Clear colorless to yellow
BRN: 1747000 · 1747000
InChI: 1S/C5H7ClO2/c1-2-3-8-5(7)4-6/h2H,1,3-4H2
InChIKey: VMBJJCDVORDOCF-UHFFFAOYSA-N
SMILES: ClCC(=O)OCC=C
CAS DataBase Reference: 2916 · 2916-14-5(CAS DataBase Reference)
NIST Chemistry Reference: Chloroacetic acid allyl ester(2916-14-5)
UNSPSC Code: 12162002 · 12162002
NACRES: 23 · NA.23
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xn
Risk Statements: 20 · 20/21/22-36/37/38
Safety Statements: 26 · 26-36-36/37/39
RIDADR: 2929 · 2929
WGK Germany: 3 · 3
HazardClass: 6.1 · 6.1
PackingGroup: II
HS Code: 29154000 · 29154000
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: 2929
hs_code: 29154000
risk_code: 20/21/22-36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 26-36-36/37/39
hazard_class: 6.1
Storage Class: 10 - Combustible liquids
packing_group: II
target organs: Respiratory system
Hazard statements: H302+H312+H332-H315-H319-H335
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338