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6-Chlorohexanoic acid

6-Chlorohexanoic acid structure

CAS No:
4224-62-8
Formula:
C6H11ClO2
Chemical Name:
6-Chlorohexanoic acid
Synonyms:
Hexanoic acid,6-chloro-;6-Chlorohexanoic acid;6-Chlorocaproic acid;ε-Chlorocaproic acid
Categories:
Organic Chemistry > Carboxylic Acids and Derivatives

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6-Chlorohexanoic acid Basic Attributes

Molecular Weight：

150.6

Exact Mass：

150.60

EC Number：

700-529-3

UNII：

NWA54WK4TF

DSSTox ID：

DTXSID50195076

HScode：

2915900090

Characteristics

PSA：

37.3

XLogP3：

0.9

Density：

1.1320 g/cm³ @ Temp: 20 °C

Melting Point：

24-26 °C

Boiling Point：

116-117 °C @ Press: 1.3 Torr

Flash Point：

107.6±22.6 °C

Refractive Index：

1.455

Safety Information

Packing level：

Ⅲ

Transport codes：

3265

hazard class code：

safety instructions：

S26-S36/37/39-S45

RTECS Number：

MO7000000

Precautionary statement(s)：

P234, P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P390, P404, P405, P501

Hazard Statements：

H290

GHS Classification：

|Danger|H290 (50%): May be corrosive to metals [Warning Corrosive to Metals]|P234, P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P390, P404, P405, and P501|Aggregated GHS information provided by 4 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

6-Chlorohexanoic acid Use and Manufacturing

General procedure: In a 1 L capacity eggplant-shaped flask, 153.370 grams (1629.69 mmol) of 6 phenol, 140.300 grams (1629.69 mmol) of 7 methacrylic acid, 362.938 grams (1629.69 mmol) of 8 di-t-butyl dicarbonate, 0.027 grams (0.65 mmol, 0.04 mol percent) of 9 lithium hydroxide monohydrate, and 0.010 grams (0.16 mmol, 0.01 mol percent) of 30 magnesium hydroxide were added successively. Then reaction was carried out at 25° C. while the mixture was stirred. Accordingly, 11 phenyl methacrylate was produced. The reaction result obtained 48 hours after the start of reaction is shown in Table 5.

Computed Properties

Molecular Weight:150.60
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:150.0447573
Monoisotopic Mass:150.0447573
Topological Polar Surface Area:37.3
Heavy Atom Count:9
Complexity:83.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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