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METHYL 3,5-DIFLUOROBENZOATE

METHYL 3,5-DIFLUOROBENZOATE structure

CAS No:
216393-55-4
Formula:
C8H6F2O2
Chemical Name:
METHYL 3,5-DIFLUOROBENZOATE
Synonyms:
BUTTPARK 89\07-67;METHYL 3,5-DIFLUOROBENZOATE;RARECHEM AL BF 0216;3,5-Difluorobenzoic acid methyl ester;Methyl 3,5-difluorobenzoate 98%;Methyl3,5-difluorobenzoate98%;Methyl 3,5-difluorobenzoate LR Grade
Categories:
Organic Chemistry > Organic Fluorine Compound

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METHYL 3,5-DIFLUOROBENZOATE Basic Attributes

Molecular Weight：

172.13

Exact Mass：

172.03400

EC Number：

-0

DSSTox ID：

DTXSID30379539

HScode：

2916399090

Characteristics

PSA：

26.3

XLogP3：

1.75140

Density：

1.265 g/mL at 25 °C(lit.)

Melting Point：

23-27 °C(lit.)

Boiling Point：

187-189 °C(lit.)

Flash Point：

170 °C

Refractive Index：

n20/D 1.4740(lit.)

Storage Conditions：

Room temperature.

Vapor Pressure：

0.288mmHg at 25°C

Safety Information

wgk germany：

hazard class code：

safety instructions：

Marks：

Xn,Xi

Hazard note：

Irritant

Precautionary statement(s)：

P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (88.37%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, and P501|Aggregated GHS information provided by 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:172.13
XLogP3:2.4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:172.03358575
Monoisotopic Mass:172.03358575
Topological Polar Surface Area:26.3
Heavy Atom Count:12
Complexity:162
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 216393-55-4

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Guide of METHYL 3,5-DIFLUOROBENZOATE

Basic Attributes
Characteristics
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Computed Properties
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