Sodium chlorodifluoroacetate

HCID 2734985CAS 1895-39-2
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C([O-])C(F)(F)Cl.[Na+]
InChIKey
MRTAVLDNYYEJHK-UHFFFAOYSA-M
Molecular formula
C2ClF2NaO2
Average molar mass
152.46 g/mol
Monoisotopic mass
151.94525764

Names & identifiers

Preferred name
Sodium chlorodifluoroacetate
IUPAC
sodium 2-chloro-2,2-difluoroacetate
English name
Sodium chlorodifluoroacetate
Molecular formula
C2HClF2O2.Na
Molecular weight
153.47

Names & synonyms

Sodium chlorodifluoroacetateAcetic acid, 2-chloro-2,2-difluoro-, sodium salt (1:1)Acetic acid, chlorodifluoro-, sodium saltEINECS 217-586-0DTXSID1062049RefChem:887407DTXCID2035986217-586-01895-39-2sodium 2-chloro-2,2-difluoroacetateChlorodifluoroacetic acid sodium saltsodium difluorochloroacetate
Show more names
2-chloro-2,2-difluoroacetateDIFLUOROCHLOROACETIC ACID SODIUM SALTorodifLSodiumchlorodifluorideSodiumdifluorochlorateRoflumilast impurity 24
MFCD00064771C2ClF2NaO2sodium;2-chloro-2,2-difluoroacetatechlorodifluoro-acetic acid sodium saltsodium chloro(difluoro)acetatesodiumchlorodifluoroacetateSodium chloro difluoro acetate2-Chloro-2,2-difluoro-acetic Acid Sodium Salt; Chlorodifluoroacetic Acid Sodium Salt; Sodium Chlorodifluoroacetate; Sodium Difluorochloroacetate

Database identifiers

CAS
1895-39-2
PubChem CID
2734985
DTXSID
DTXSID1062049
UNII
ZAY4J838P2
EC Number
217-586-0
Nikkaji
J199.722J

Properties

Computed structural properties

Topological polar surface area
40.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
8

Physicochemical properties

Melting point
196 · 196-198 °C (lit.)
storage temp.
Keep in dark place,Inert atmosphere,Room temperature
solubility
Soluble in dimethoxyethane, diglyme (0.60 g mL-1), triglyme, dimethyl formamide.
form
Powder
color
White to off-white
BRN
4162363 · 4162363

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 82 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 13-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/34354
Hazard Classes and CategoriesSkin Irrit. 2 (97.6%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
tsca
TSCA listed
hs_code
29159080
risk_code
36/37/38
Signal word
Warning

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationAcetic acid, 2-chloro-2,2-difluoro-, sodium salt (1:1): ACTIVE

Applications

UsesIt is used as pharmaceutical intermediate. Reactions of aldehydes with triphenylphosphine and sodium chlorodifluoroacetate yield 1,1-difluoro olefins. It is a general reaction and a one step synthesis.

Preparation methods · 1 item

PreparationSodium chlorodifluoroacetate is prepared by careful neutralization of 130.5 g (1.0 mol) of chlorodifluoroacetic acid in 300 mL of Et2O with 53 g (0.5 mol) of anhydrous Na2CO3. The Et2O and water are removed under reduced pressure. The salt is then dried in a vacuum desiccator over P2O5. [1]

Upstream & downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
济南万兴达新材料科技有限公司0531-88064106 18253116016 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

Related reactions

190 records
New reaction record

Linked notes

Loading…