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Chlormethylchlorformiat

Chloromethyl chloroformate

HCID 62754
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Grundinformationen

CAS
22128-62-7
Standard-SMILES
O=C(Cl)OCCl
InChIKey
JYWJULGYGOLCGW-UHFFFAOYSA-N
Summenformel
C2H2Cl2O2
Durchschnittliche Molmasse
128,94 g/mol
Monoisotopische Masse
127,94318466

Überblick

Chloromethyl chloroformate appears as a colorless liquid with a penetrating, irritating odor. Denser than water. Contact may irritate skin, eyes and mucous membranes. Toxic by ingestion, inhalation and skin absorption. Used to make other chemicals.

Namen und Bezeichner

Bevorzugter Name
Chloromethyl chloroformate
IUPAC
chloromethyl carbonochloridate
Lokaler Name
Chlormethylchlorformiat
Englischer Name
Chloromethyl chloroformate
Summenformel
C2H2Cl2O2
Molmasse
128.94

Namen und Synonyme

Chloromethyl chloroformatechloromethyl carbonochloridatechloromethylchloroformateCarbonochloridic acid, chloromethyl esterPaliteEINECS 244-793-3DTXSID9074567UN 2745Formic acid, chloro-, chloromethyl esterRefChem:125439DTXCID2036613CHLOROMETHOXYCARBONYL CHLORIDE
Weitere Namen anzeigen
JMCCMCFTenofovir Impurity 42Tenofovir Impurity 65Tenofovir Impurity 241Tenofovir Impurity 42 CRSChloromethylchloroformate,97%Chloromethyl chloromethanoate
244-793-3JYWJULGYGOLCGW-UHFFFAOYSA-N22128-62-7Chloroformic Acid Chloromethyl EsterChlorocarbonic acid chloromethyl esterMFCD00077688Chloro-formic acid Chloromethyl Ester; Chloromethoxycarbonyl Chloride; Chloromethyl Carbonochloridate; Chloromethyl Chlorocarbonate; Chloromethyl ChloroformateUN2745

Datenbank-Bezeichner

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,9
Polarare Oberfläche (TPSA)
26,3 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
2
Schwere Atome
6
Formalladung
0
Komplexität
53,5

Experimentelle und physikochemische Eigenschaften

Chemical ClassesCorrosives
SpringerMaterials PropertiesSchoenflies notation
Physical Description · 1 Eintrag

Chloromethyl chloroformate appears as a colorless liquid with a penetrating, irritating odor. Denser than water. Contact may irritate skin, eyes and mucous membranes. Toxic by ingestion, inhalation and skin absorption. Used to make other chemicals.

Physikochemische Eigenschaften

Schmelzpunkt
-20 °C · <-20°C
Siedepunkt
107 · 107-108 °C(lit.)
Dichte
1.449 g/mL · 1.449 g/mL at 20 °C
Brechungsindex
20 · n20/D 1.428
Flammpunkt
95 °C · 95°C
storage temp.
2 · 2-8°C
Löslichkeit
Chloroform (Soluble), Methanol (Slightly)
Aggregatzustand
clear liquid

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (11.8%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 51 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
DOT LabelPoison Corrosive
Fire Hazards · 2 Einträge

Excerpt from ERG Guide 157 [Substances - Toxic and/or Corrosive (Non-Combustible / Water-Sensitive)]:

· Non-combustible, substance itself does not burn but may decompose upon heating to produce corrosive and/or toxic fumes.

Health Hazards · 2 Einträge

Excerpt from ERG Guide 157 [Substances - Toxic and/or Corrosive (Non-Combustible / Water-Sensitive)]:

· TOXIC and/or CORROSIVE; inhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death.

DOT ID and Guide2745 157
Reactive GroupHalogenated Organic Compounds
Reactivity AlertsWater-Reactive

Chemie und Industrie

Anwendungen

VerwendenChloromethyl chloroformate is used as a reagent in the synthesis of carbamates and carbonates.

Vor- und nachgelagerte Produkte

Nachgelagerte Produkte

ChlormethylchlorsulfatMethylchlorsulfatChloromethyl ethyl carbonate

Zugehörige Reaktionen

199
Reaktionsaufzeichnung erstellen
Reaktionsgleichung von HRID 1406
HRID 1406als Eduktuspto-grants-1998_03
Reaktionsgleichung von HRID 16159
HRID 16159als Eduktuspto-grants-2010_06
Reaktionsgleichung von HRID 32310
HRID 32310als Eduktuspto-grants-2008_09
Reaktionsgleichung von HRID 34983
HRID 34983als Eduktuspto-grants-1988_08
Reaktionsgleichung von HRID 86842
HRID 86842als EduktTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaktionsgleichung von HRID 98043
HRID 98043als EduktTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaktionsgleichung von HRID 103931
HRID 103931als EduktTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaktionsgleichung von HRID 110879
HRID 110879als EduktTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
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CAS
22128-62-7
PubChem CID
62754
DTXSID
DTXSID9074567
UNII
V6LT723843
EC Number
244-793-3
Nikkaji
J26.283H
Farbe
Colorless to Light yellow to Light orange
Wasserlöslichkeit
Slightly miscible with water.
BRN
506426 · 506426
Stabilität
Extremely Moisture Sensitive, Hygroscopic
InChI
1S/C2H2Cl2O2/c3-1-6-2(4)5/h1H2
InChIKey
JYWJULGYGOLCGW-UHFFFAOYSA-N
SMILES
ClCOC(Cl)=O
CAS Datenbank
22128 · 22128-62-7(CAS DataBase Reference)
EPA chemische Informationen
Carbonochloridic acid, chloromethyl ester (22128-62-7)
Reactivity Profile · 1 Eintrag

CHLOROMETHYL CHLOROFORMATE is water reactive. Incompatible with strong oxidizing agents, alcohols, bases (including amines). May react vigorously or explosively if mixed with diisopropyl ether or other ethers in the presence of trace amounts of metal salts [J. Haz. Mat., 1981, 4, 291].

DOT Hazard Classification · 5 Einträge

Chloromethyl chloroformate

UN2745

Div 6.1 Poisonous materials (49 eCFR § 173.132)

Div 6.1 Poisonous materials (49 eCFR § 173.132)

PG II: the degree of danger presented by the material is medium

Air and Water ReactionsReacts with moisture in air to generate heat and hydrochloric acid fumes [Merck, 11th ed., 1989]. Reacts with water.
Hazard Classes and Categories · 2 Einträge

Acute Tox. 4 (11.8%)

Corrosives, Reactive agents - 1st degree

Sicherheit und Schutzausrüstung

Fire FightingExcerpt from ERG Guide 157 [Substances - Toxic and/or Corrosive (Non-Combustible / Water-Sensitive)]:
Accidental Release Measures · 2 Einträge

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.

First Aid · 2 Einträge

Excerpt from ERG Guide 157 [Substances - Toxic and/or Corrosive (Non-Combustible / Water-Sensitive)]:

General First Aid:

Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Nonfire Spill ResponseExcerpt from ERG Guide 157 [Substances - Toxic and/or Corrosive (Non-Combustible / Water-Sensitive)]:
Isolation and Evacuation · 2 Einträge

Excerpt from ERG Guide 157 [Substances - Toxic and/or Corrosive (Non-Combustible / Water-Sensitive)]:

Immediate precautionary measure

Personal Protective Equipment (PPE)Excerpt from ERG Guide 157 [Substances - Toxic and/or Corrosive (Non-Combustible / Water-Sensitive)]:
Emergency Response Planning Guidelines· Note: Some foams will react with the material and release corrosive/toxic gases.

Sicherheitsdaten

F
10-19-21
wgk
3
ridadr
UN 2745
hs_code
2915.90.5050
risk_code
23-34
hazard_code
T
safety_code
26-36/37/39-45
hazard_class
6.1
packing_group
II
Speicherklasse
6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
Hazard Classifications
Acute Tox. 3 InhalationSkin Corr. 1B