Ethyl bromodifluoroacetate

• CAS: 667-27-6
• Catalog Number: ACM667276
• Category: Bromine Series
• Molecular Weight: 202.98
• Molecular Formula: C₄H₅BrF₂O₂
• Synonyms: Ethyl bromodifluoroacetate, Ethylbromodifluoroacetate, 295795_ALDRICH, 16900_FLUKA, EINECS 211-567-0, BTB 12440, ZINC01845846, Acetic acid, bromodifluoro-, ethyl ester, TL8004719, 667-27-6
• IUPAC Name: ethyl 2-bromo-2,2-difluoroacetate
• Canonical SMILES: CCOC(=O)C(F)(F)Br
• InChI Key: IRSJDVYTJUCXRV-UHFFFAOYSA-N
• Boiling Point: 112ºC
• Flash Point: 21ºC
• Density: 1.583
• Appearance: Transparent liquid
• EC Number: 211-567-0
• Exact Mass: 201.94400
• Hazard Statements: H301-H312-H314
• H-Bond Acceptor: 4
• H-Bond Donor: 0
• Packing Group: II
• RIDADR: UN 1987C 3 / PGIII
• Safety Description: S16-S26-S36/37/39-S45
• Symbol: GHS05
• WGK Germany: 3

Custom Q&A

What is the molecular formula of ethyl bromodifluoroacetate?

The molecular formula of ethyl bromodifluoroacetate is C4H5BrF2O2.

What is the molecular weight of ethyl bromodifluoroacetate?

The molecular weight of ethyl bromodifluoroacetate is 202.98 g/mol.

What is the IUPAC name of ethyl bromodifluoroacetate?

The IUPAC name of ethyl bromodifluoroacetate is ethyl 2-bromo-2,2-difluoroacetate.

What is the InChI of ethyl bromodifluoroacetate?

The InChI of ethyl bromodifluoroacetate is InChI=1S/C4H5BrF2O2/c1-2-9-3(8)4(5,6)7/h2H2,1H3.

How many heavy atoms are present in ethyl bromodifluoroacetate?

There are 9 heavy atoms present in ethyl bromodifluoroacetate.

What is the XLogP3 value of ethyl bromodifluoroacetate?

The XLogP3 value of ethyl bromodifluoroacetate is 1.6.

What is the topological polar surface area of ethyl bromodifluoroacetate?

The topological polar surface area of ethyl bromodifluoroacetate is 26.3Ų.

Does ethyl bromodifluoroacetate have any hydrogen bond donor count?

No, ethyl bromodifluoroacetate does not have any hydrogen bond donor count.

How many rotatable bond counts are there in ethyl bromodifluoroacetate?

There are 3 rotatable bond counts in ethyl bromodifluoroacetate.

Is ethyl bromodifluoroacetate a canonicalized compound?

Yes, ethyl bromodifluoroacetate is a canonicalized compound.

Synthetic Use

Downstream Synthesis Route 1

• 667-27-6

• 354-08-5

Reference: [1] Israel Journal of Chemistry, 1964, vol. 2, p. 355 - 361

Downstream Synthesis Route 2

• 667-27-6
• 140-88-5

• 428-97-7

Reference: [1] Patent: CN104159884, 2016, B, . Location in patent: Paragraph 0060; 0061; 0062; 0063; 0064

Downstream Synthesis Route 3

• 667-27-6
• 140-88-5

• 428-97-7
• 1412175-17-7

Reference: [1] Synthesis, 2012, vol. 44, # 20, p. 3165 - 3170,6

Downstream Synthesis Route 4

• 667-27-6

• 354-08-5

Reference: [1]Israel Journal of Chemistry,1964,vol. 2,p. 355 - 361

Downstream Synthesis Route 5

• 667-27-6
• 31462-54-1

• 294181-98-9

Reference: [1]Patent: US2007/225282,2007,A1 .Location in patent: Page/Page column 35

Downstream Synthesis Route 6

• 667-27-6
• 4983-28-2

• 1192813-64-1

Reference: [1]Patent: EP2390254,2011,A1 .Location in patent: Page/Page column 88

* For details of the synthesis route, please refer to the original source to ensure accuracy.