Carbonochloridic acid, 2-fluoroethyl ester

HCID 10017

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Basic information

CAS: 462-27-1
Standard SMILES: O=C(Cl)OCCF
InChIKey: FOHSVPIFZASOED-UHFFFAOYSA-N
Molecular formula: C3H4ClFO2
Average molar mass: 126.51 g/mol
Monoisotopic mass: 125.9883852

Names & identifiers

Preferred name: Carbonochloridic acid, 2-fluoroethyl ester
IUPAC: 2-fluoroethyl carbonochloridate
English name: 2-FLUOROETHYL CHLOROFORMATE
Molecular formula: C3H4ClFO2
Molecular weight: 126.51

Names & synonyms

2-Fluoroethyl chloroformateCarbonochloridic acid, 2-fluoroethyl esterChloroformic acid 2-fluoroethyl esterTL 751BRN 17466552-Fluorethylester kyseliny chlormravenci [Czech]2-Fluorethylester kyseliny chlormravenciCarbonochloridic acid, 2-fluoroethyl ester (9CI)Formic acid, chloro-, 2-fluoroethyl ester4-03-00-00024 (Beilstein Handbook Reference)DTXSID50196760RefChem:123619

Show more names

tl7512-Fluoroethyl chloroforMate 97%chloroformicacid2-fluoroethylesterchloro-formicaci2-fluoroethylesterformicacid,chloro-,2-fluoroethylester2-fluorethylesterkyselinychlormravencichlorocarbonic acid 2-fluoroethyl estercarbonochloridicacid,2-fluoroethylester

DTXCID90119251624-170-6462-27-12-fluoroethyl carbonochloridateMFCD01726287C3H4ClFO22-Fluorathyl-chlorcarbonat2-fluoroethyl chlorocarbonate

Database identifiers

CAS: 462-27-1
PubChem CID: 10017
DTXSID: DTXSID50196760
EC Number: 624-170-6
Nikkaji: J69.672B

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 7
Formal charge: 0
Complexity: 66

Physicochemical properties

Boiling point: 131 · 131-135 °C (lit.)
Density: 1.34 g/mL · 1.34 g/mL at 25 °C (lit.)
vapor pressure: 0.83 mm · 0.83 mm Hg ( 20 °C)
refractive index: 20 · n20/D 1.4(lit.)
Flash point: 138 °F · 138 °F
storage temp.: 2 · 2-8°C
solubility: Chloroform (Slightly), Ethyl Acetate (Slightly)
form: Oil
color: Colourless
Stability: Hygroscopic, Moisture Sensitive, Very Volatile
InChI: 1S/C3H4ClFO2/c4-3(6)7-2-1-5/h1-2H2
InChIKey: FOHSVPIFZASOED-UHFFFAOYSA-N
SMILES: FCCOC(Cl)=O
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS05,GHS06
Signal word: Danger
Hazard statements: 226 · H226-H314-H331
Precautionary statements: 210 · P210-P233-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: T
Risk Statements: 23 · 23-34
Safety Statements: 26 · 26-27-36/37/39-45
RIDADR: 2742 · UN 2742 6.1/PG 2
WGK Germany: 3 · 3
RTECS: 6300000 · LQ6300000
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 3 InhalationFlam · Acute Tox. 3 InhalationFlam. Liq. 3Skin Corr. 1B

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation]

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

Aggregated GHS information provided per 41 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (100%)；Skin Corr. 1B (100%)；Acute Tox. 3 (100%)

Safety data

PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
rtecs: LQ6300000
ridadr: UN 2742 6.1/PG 2
risk_code: 23-34
Signal word: Danger
Symbol(GHS): GHS02,GHS05,GHS06
hazard_code: T
safety_code: 26-27-36/37/39-45
Storage Class: 3 - Flammable liquids
Hazard statements: H226-H314-H331
Hazard Classifications: Acute Tox. 3 InhalationFlam. Liq. 3Skin Corr. 1B
Precautionary statements: P210-P233-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338