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4-Heptylbenzoyl chloride

4-Heptylbenzoyl chloride structure

CAS No:
50606-96-7
Formula:
C14H19ClO
Chemical Name:
4-Heptylbenzoyl chloride
Synonyms:
Benzoyl chloride,4-heptyl-;4-Heptylbenzoyl chloride;p-Heptylbenzoyl chloride
Categories:
Chemical Reagents > Organic Reagents

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Description

clear colorless to brown-orange liquid

4-Heptylbenzoyl chloride Basic Attributes

Molecular Weight：

238.75

Exact Mass：

238.75

BRN：

2092107

EC Number：

256-648-1

DSSTox ID：

DTXSID2068559

HScode：

2916399090

Characteristics

PSA：

17.1

XLogP3：

5.86

Density：

1.0±0.1 g/cm3

Boiling Point：

160 °C @ Press: 5 Torr

Flash Point：

>230 °F

Refractive Index：

1.511

Safety Information

Packing level：

Hazard category：

Transport codes：

UN 3265 8/PG 2

wgk germany：

hazard class code：

34-36/37

safety instructions：

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

Marks：

Hazard note：

Corrosive

Precautionary statement(s)：

P261-P280-P305 + P351 + P338-P310

Hazard Statements：

H314-H335

GHS Classification：

|Danger|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P363, P403+P233, P405, 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.

4-Heptylbenzoyl chloride Use and Manufacturing

Manufacturing Info：

Benzoyl chloride, 4-heptyl-: INACTIVE

Computed Properties

Molecular Weight:238.75
XLogP3:5.7
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:7
Exact Mass:238.1124429
Monoisotopic Mass:238.1124429
Topological Polar Surface Area:17.1
Heavy Atom Count:16
Complexity:195
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes