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2-ACETYL-3,6-DIFLUOROBENZOIC ACID

2-ACETYL-3,6-DIFLUOROBENZOIC ACID structure

CAS No:
319457-34-6
Formula:
C9H6F2O3
Chemical Name:
2-ACETYL-3,6-DIFLUOROBENZOIC ACID
Synonyms:
2-acetyl-3,6-difluorobenzoic acid;ACMC-1AHBE;SCHEMBL3757971;CTK4G7953;DTXSID40377708;ZINC2570143;SBB092565;AKOS005257930;Benzoic acid,2-acetyl-3,6-difluoro-;2-ethanoyl-3,6-bis(fluoranyl)benzoic acid

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2-ACETYL-3,6-DIFLUOROBENZOIC ACID Basic Attributes

Molecular Weight：

200.14

Exact Mass：

200.02900

DSSTox ID：

DTXSID40377708

HScode：

2918300090

Characteristics

PSA：

54.4

XLogP3：

1.86560

Density：

1.41g/cm3

Melting Point：

83-88°C

Boiling Point：

314.5ºC at 760mmHg

Flash Point：

144ºC

Refractive Index：

1.52

Safety Information

Marks：

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 6 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:200.14
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:200.02850037
Monoisotopic Mass:200.02850037
Topological Polar Surface Area:54.4
Heavy Atom Count:14
Complexity:254
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-ACETYL-3,6-DIFLUOROBENZOIC ACID

Basic Attributes
Characteristics
Safety Information
Computed Properties
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2-ACETYL-3,6-DIFLUOROBENZOIC ACID

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