Vinyl chloroformate

HCID 78808CAS 5130-24-5
Substructure searchFind similar structures

Basic information

Standard SMILES
C=COC(=O)Cl
InChIKey
PQLFROTZSIMBKR-UHFFFAOYSA-N
Molecular formula
C3H3ClO2
Average molar mass
106.51 g/mol
Monoisotopic mass
105.98215702

Names & identifiers

Preferred name
Vinyl chloroformate
IUPAC
ethenyl carbonochloridate
English name
Vinyl chloroformate
Molecular formula
C3H3ClO2
Molecular weight
106.51

Names & synonyms

Vinyl chloroformate5130-24-5ethenyl carbonochloridate9DJ5DDM7G9Carbonochloridic acid, ethenyl esterEINECS 225-874-2chloroformic acid vinyl esterDTXSID30199299RefChem:901916DTXCID10121790225-874-2vinyl carbonochloridate
Show more names
Vinyl chlorocarbonateVinylchloroformate99%Vinyl chloroformate 98%Vinyloxycarbonyl chlorideVINYL CHLOROFORMATE, STAB.Ethenyl carbonochloridoateChloroformic acid ethenyl esterVinyl Chloroformate DISCONTINUED
vinylchloroformateethenyl chloroformateUNII-9DJ5DDM7G9Vinyl chloroformate, 94%Vinyl chloroformate, 99%SCHEMBL197073STR07467MFCD00000641

Database identifiers

CAS
5130-24-5
PubChem CID
78808
DTXSID
DTXSID30199299
UNII
9DJ5DDM7G9
EC Number
225-874-2
Nikkaji
J203.322D

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
6

Experimental & physicochemical properties

Chemical ClassesToxic Gases & Vapors -> Acid Halides
Vapor Pressure45.5 [mmHg]
Physical DescriptionColorless liquid; [Alfa Aesar MSDS]

Physicochemical properties

Boiling point
68 · 68-69 °C735 mm Hg(lit.)
Density
1.166 g/mL · 1.166 g/mL at 20 °C(lit.)
vapor pressure
0.88 psi · 0.88 psi ( 20 °C)
refractive index
20 · n20/D 1.41(lit.)
Flash point
24 °F · 24 °F
storage temp.
2 · 2-8°C

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P330, P361+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationChemical: Carbonochloridic acid, ethenyl ester
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
Hazards SummaryReacts with water; Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract; Toxic by ingestion, inhalation, and skin absorption; [Alfa Aesar MSDS] See Allyl chloroformate.
Hazard Classes and CategoriesFlam. Liq. 2 (100%)

Safety & protection

Exposure Control and Personal Protection · 1 item

TIH (Toxic Inhalation Hazard) - Term used to describe gases and volatile liquids that are toxic when inhaled. Some are TIH materials themselves, e.g., chlorine, and some release TIH gases when spilled in water, e.g., chlorosilanes. [ERG 2016].

Toxicology

Adverse EffectsDermatotoxin - Skin burns.

Safety data

F
10-21-19
wgk
3
ridadr
UN 3390 6.1/PG 1
hs_code
29159000
risk_code
23/24/25-34-11
Signal word
Danger

Chemistry & industry

Applications

UsesVinyl Chloroformate was used to prepare analogues of the Nicotinic Acetylcholine Receptor Agonist (±)-UB-165. It was also used to synthesize possible antitumor agents such as paclitaxel-2''-carbonates and N-carbamyl triazenes.

Upstream & downstream products

Downstream products

Suppliers33 total

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

Related reactions

114 records
New reaction record

Linked notes

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