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Piperonyloyl chloride

Piperonyloyl chloride structure

CAS No:
25054-53-9
Formula:
C8H5ClO3
Chemical Name:
Piperonyloyl chloride
Synonyms:
BUTTPARK 154\04-36;3,4-(METHYLENEDIOXY)BENZOYL CHLORIDE;1,3-BENZODIOXOLE-5-CARBONYL CHLORIDE;TIMTEC-BB SBB003720;PIPERONYLOYL CHLORIDE;Benzo[d][1,3]dioxole-5-carbonyl chloride;1,3-Benzodioxole-5-carbonyl chloride (9CI);Piperonoyl chloride
Categories:
Chemical Reagents > Organic Reagents

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Description

off-white to blue-grey crystalline powder

Piperonyloyl chloride Basic Attributes

Molecular Weight：

184.58

Exact Mass：

183.99300

DSSTox ID：

DTXSID30370480

HScode：

29329900

Characteristics

PSA：

35.5

XLogP3：

1.79430

Appearance：

Off-white to blue-gray Crystalline Powder

Density：

1.453 g/cm3

Melting Point：

78-79 °C(lit.)

Boiling Point：

155 °C25 mm Hg(lit.)

Flash Point：

130.1ºC

Refractive Index：

1.586

Vapor Pressure：

0.00784mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 3261 8/PG 2

wgk germany：

hazard class code：

safety instructions：

22-26-27-28-36/37/39-45

Marks：

Hazard note：

Corrosive

Precautionary statement(s)：

P280-P305 + P351 + P338-P310

Hazard Statements：

H314

GHS Classification：

|Danger|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501|Aggregated GHS information provided by 40 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:184.57
XLogP3:2.1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:183.9927217
Monoisotopic Mass:183.9927217
Topological Polar Surface Area:35.5
Heavy Atom Count:12
Complexity:195
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Tetrahydrofuran

Dimethyl sulfoxide

Thionyl chloride