CAS 2937-50-0|chloro(prop-2-en-1-yloxy)methanone|allyl carbonochloridate|allyl chlorocarbonate|Allyl chloroformate|prop-2-en-1-yl chloroformate|prop-2-en-1-yl chloroformate|氯甲酸烯丙酯|Allyl chloro...

Molecular Formula

C₄H₅ClO₂

Molecular Mass

120.5343

Exact Mass

119.99780708

InChI

InChI=1S/C4H5ClO2/c1-2-3-7-4(5)6/h2H,1,3H2

InChIKey

CAEWJEXPFKNBQL-UHFFFAOYSA-N

Canonic Smiles

ClC(=O)OCC=C

Isomeric Smiles

O(CC=C)C(=O)Cl

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.6605248

LogD (pH = 7.4)

1.6605248

Log P

1.6605248

Molar Refractivity

27.2885

Polarizability

10.591864

Polar Surface Area

26.3

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

18052

Synonyms

allyl carbonochloridateAllyl chloroformate氯甲酸烯丙酯Allyl chlorocarbonate

IUPAC name

chloro(prop-2-en-1-yloxy)methanone prop-2-en-1-yl chloroformate

IUPAC Traditional name

allyl chlorocarbonate prop-2-en-1-yl chloroformate

MDL Number

Beilstein Number

PubChem SID

CAS Number

Physical Property

Packing Group

GHS Pictograms

Flammable gases, category 1

Flammable aerosols, categories 1,2

Flammable liquids, categories 1,2,3

Self-reactive substances and mixtures, Types B,C,D,E,F

Pyrophoric liquids, category 1

Pyrophoric solids, category 1

Self-heating substances and mixtures

Substances and mixtures, which in contact with water, emit flammable gases, categories 1,2,3

Organic peroxides, Types B,C,D,E,F

Acute toxicity (oral, dermal, inhalation), categories 1,2,3

Corrosive to metals, category 1

Skin corrosion, categories 1A,1B,1C

Serious eye damage, category 1

-20°C

2-8°C

Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

P260-P280-P284-P301+P310-P305+P351+P338-P310

H226-H301-H314-H330

UN 1722 6.1/PG 1

26-28-36/37/39-45

Product Information

Purity

97%

≥97.0% (GC)

Linear Formula

ClCOOCH2CH=CH2

Grade

purum

No Data Available

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Sigma Aldrich

242306

Application
Reagent employed in ring-expanding allylation leading to 1,4-cycloheptanediones.1
Packaging
5, 100 g in glass bottle

No Data Available

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Academic Data

PubChem

18052

Synonyms

allyl carbonochloridateAllyl chloroformate氯甲酸烯丙酯Allyl chlorocarbonate

IUPAC name

chloro(prop-2-en-1-yloxy)methanone prop-2-en-1-yl chloroformate

IUPAC Traditional name

allyl chlorocarbonate prop-2-en-1-yl chloroformate

MDL Number

Beilstein Number

PubChem SID

CAS Number

242306

Application
Reagent employed in ring-expanding allylation leading to 1,4-cycloheptanediones.1
Packaging
5, 100 g in glass bottle

No Data Available

Click here to submit data

Physical Property

Safety Information

Product Information

Purity

97%

≥97.0% (GC)

Linear Formula

ClCOOCH2CH=CH2

Grade

purum

Molecule

ID:89664