CAS 74974-54-2 1,1,1-Trimethoxy-2-chloroethane (HCID 144702)

Names & identifiers

Preferred name: 1,1,1-Trimethoxy-2-chloroethane
IUPAC: 2-chloro-1,1,1-trimethoxyethane
English name: 1,1,1-Trimethoxy-2-chloroethane
Molecular formula: C5H11ClO3
Molecular weight: 154.59

Names & synonyms

2-Chloro-1,1,1-trimethoxyethane74974-54-21,1,1-Trimethoxy-2-chloroethaneDTXSID40225932RefChem:409508DTXCID70148423629-378-0MFCD00216629Ethane, 2-chloro-1,1,1-trimethoxy-1-chloro-2,2,2-trimethoxyethaneAprepitant impurity 512-chloro-1,1,1-trimethoxy-ethane

Show more names

TMOCAAprepitant Impurity 46Fosaprepitant Impurity 36Chloroacetic acid trimethyl ester2-Chloro-1,1,1-trimethoxyethane 98%TIANFU-CHEM_1,1,1-Trimethoxy-2-chloroethane

C5H11ClO3Trimethyl chloro-orthoacetate1-Chloro-2,2,2-trimethoxyethane; Trimethyl (Chloromethyl)orthoformate; Trimethyl Orthochloroacetatetrimethoxy chloroethaneLF7YZJ7MHXTrimethyl orthochloroacetateSCHEMBL2013612-chloro-1,1,1 trimethoxyethane

Database identifiers

CAS: 74974-54-2
PubChem CID: 144702
DTXSID: DTXSID40225932
UNII: LF7YZJ7MHX
EC Number: 629-378-0
Nikkaji: J620.969F

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 27.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 9
Formal charge: 0
Complexity: 64.3

Physicochemical properties

Boiling point: 138 °C · 138 °C (lit.)
Density: 1.147 g/mL · 1.147 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.425(lit.)
Flash point: 109 °F · 109 °F
storage temp.: 2 · 2-8°C
solubility: Chloroform (Slightly), Ethyl Acetate (Slightly)
form: Oil
color: Colourless
InChI: InChI=1S/C5H11ClO3/c1-7-5(4-6,8-2)9-3/h4H2,1-3H3
InChIKey: NPEIUNVTLXEOLT-UHFFFAOYSA-N
SMILES: C(OC)(OC)(OC)CCl
CAS DataBase Reference: 74974 · 74974-54-2(CAS DataBase Reference)
NIST Chemistry Reference: 1 · 1,1,1-Trimethoxy-2-chloroethane(74974-54-2)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02
Signal word: Warning
Hazard statements: 225 · H225
Precautionary statements: 210 · P210-P403+P235
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: T
Risk Statements: 10 · 10
Safety Statements: 16 · 16-45
RIDADR: 1993 · UN 1993 3/PG 3
WGK Germany: 3 · 3
HazardClass: 3 · 3
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 3 · Flam. Liq. 3
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 1993 3/PG 3
risk_code: 10
Signal word: Warning
Symbol(GHS): GHS02
hazard_code: T
safety_code: 16-45
hazard_class: 3
Storage Class: 3 - Flammable liquids
Hazard statements: H225
Limited Quantities: 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Hazard Classifications: Flam. Liq. 3
Precautionary statements: P210-P403+P235

Chemistry & industry

Applications

Uses2-Chloro-1,1,1-trimethoxyethane may be used for the synthesis of chlorotriazolinone, an NK1 antagonist and 2-chloromethyl-7-[3-(trifluoromethyl)pyridin-2-yl]-3H-quinazolin-4-one.

General Description2-Chloro-1,1,1-trimethoxyethane is a chloromethyl heterocyclic compound. It participates in the synthesis of 2-phenyl-1,3,4-oxadiazole derivatives.