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Ethyl 4,4-difluoropentanoate

Ethyl 4,4-difluoropentanoate structure

CAS No:
659-72-3
Formula:
C7H12F2O2
Chemical Name:
Ethyl 4,4-difluoropentanoate
Synonyms:
Ethyl 4,4-Difluorovalerate;Ethyl 4,4-difluoropentanoate;ACMC-20akz0;SCHEMBL15270397;CTK8C5643;DTXSID10507196;MFCD15144890;ZINC44831081;Ethyl 4,4-difluorovalerate, >=95.0%;DB-073683
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Pharmaceutical Intermediates > Bulk Drug Intermediates

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Ethyl 4,4-difluoropentanoate Basic Attributes

Molecular Weight：

166.1657864

Exact Mass：

166.080536

DSSTox ID：

DTXSID10507196

HScode：

2915900090

Characteristics

PSA：

26.3

XLogP3：

1.69

Density：

1.0±0.1 g/cm3

Boiling Point：

142.5±25.0 °C at 760 mmHg

Flash Point：

55°C

Refractive Index：

1.378

Safety Information

Transport codes：

UN 3272 3 / PGIII

wgk germany：

hazard class code：

10-18-20/22-36/37/38

safety instructions：

Marks：

Precautionary statement(s)：

P261-P301 + P310-P305 + P351 + P338

Hazard Statements：

H226-H301-H315-H319-H332-H335

GHS Classification：

|Danger|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P310, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:166.17
XLogP3:1.8
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:166.08053595
Monoisotopic Mass:166.08053595
Topological Polar Surface Area:26.3
Heavy Atom Count:11
Complexity:134
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 659-72-3

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Guide of Ethyl 4,4-difluoropentanoate

Basic Attributes
Characteristics
Safety Information
Computed Properties
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Ethyl 4,4-difluoropentanoate

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