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CAS No.: | 123-04-6 |
---|---|
Name: | 3-(Chloromethyl)heptane |
Article Data: | 17 |
Molecular Structure: | |
Formula: | C8H17Cl |
Molecular Weight: | 148.676 |
Synonyms: | 1-Chloro-2-ethylhexane;2-Ethylhexyl chloride;3-(Chloromethyl)heptane;NSC 8883; |
EINECS: | 204-594-4 |
Density: | 0.863 g/cm3 |
Melting Point: | -70 °C |
Boiling Point: | 173.426 °C at 760 mmHg |
Flash Point: | 52.474 °C |
Solubility: | 0.0503 g/L (20 ºC) |
Appearance: | Liquid |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 37/39-26 |
PSA: | 0.00000 |
LogP: | 3.44160 |
Conditions | Yield |
---|---|
With hydrogenchloride; N-n-butylalkylpyridinium chlorides; mixture of at 135℃; for 22h; Product distribution / selectivity; | 99.3% |
With chloro-trimethyl-silane; dimethyl sulfoxide for 0.166667h; | 92% |
With pyridine; thionyl chloride at 0 - 55℃; | 89% |
2-Ethylhexyl chloroformate
3-(chloromethyl)heptane
Conditions | Yield |
---|---|
With N,N-dimethyl-formamide In chloroform at 72℃; | 86% |
pyrographite |
2-Ethylhexyl alcohol
benzoyl chloride
A
3-(chloromethyl)heptane
B
Velate 368
Conditions | Yield |
---|---|
With 2,3-diethyl-2-cyclopropen-1-one In tert-butyl methyl ether at 60℃; for 24h; Catalytic behavior; Temperature; | A 81% B n/a |
With 1-pyrrolidinecarboxaldehyde In 1,4-dioxane at 80℃; for 12h; Sealed tube; Green chemistry; | A 52 %Spectr. B 40 %Spectr. |
Conditions | Yield |
---|---|
With 2,3-diethyl-2-cyclopropen-1-one In tert-butyl methyl ether at 40℃; for 20h; chemoselective reaction; | A 78% B n/a |
2-Ethylhexyl alcohol
N,N-dimethyl-formamide
A
3-(chloromethyl)heptane
B
(2-ethylhex-1-yl) formiate
Conditions | Yield |
---|---|
With benzoyl chloride at 100℃; for 2.25h; | A 65% B n/a |
tris(2-ethylhexyl) phosphite
2-Chloro-N,N-diethylacetamide
A
3-(chloromethyl)heptane
B
bis(2-ethyl-1-hexyl) (N,N-diethylcarbamoylmethyl)phosphonate
Conditions | Yield |
---|---|
at 165 - 170℃; under 160 - 200 Torr; | A n/a B 62.1% |
3-(chloromethyl)heptane
2-(2-hydroxy-4-(2-ethylhexyl)oxy)phenyl-4,6-bis(4-phenyl)phenyl-1,3,5-triazine
Conditions | Yield |
---|---|
With tetrabutylammomium bromide; sodium hydroxide In n-heptane; water at 70 - 90℃; for 5h; Temperature; | 95.08% |
3-(chloromethyl)heptane
bis-(2-ethyl-hexyl)-tin (2+); dichloride
Sn{CH2CH(C2H5)C4H9}4
Conditions | Yield |
---|---|
With Na | 93.6% |
With sodium | 93.6% |
3-(chloromethyl)heptane
(2-ethylhexyl)lithium
Conditions | Yield |
---|---|
With lithium In n-heptane at 20℃; | 90% |
Conditions | Yield |
---|---|
Stage #1: 3-(chloromethyl)heptane; sodium thiomethoxide In water at 60℃; for 2h; Inert atmosphere; Stage #2: With dihydrogen peroxide In dichloromethane at 60℃; for 2h; | 90% |
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1. | skn-rbt 500 mg MLD | 34ZIAG Toxicology of Drugs and Chemicals ,Deichmann, W.B.,New York, NY.: Academic Press, Inc.,1969,745. | ||
2. | skn-rbt 100 mg/24H MOD | 85JCAE Prehled Prumyslove Toxikologie; Organicke Latky Marhold, J.,Prague, Czechoslovakia.: Avicenum,1986,102. | ||
3. | eye-rbt 100 mg/24H MLD | 85JCAE Prehled Prumyslove Toxikologie; Organicke Latky Marhold, J.,Prague, Czechoslovakia.: Avicenum,1986,102. | ||
4. | orl-rat LD50:7340 mg/kg | AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. 4 (1951),119. | ||
5. | ihl-rat LCLo:2000 ppm/4H | AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. 4 (1951),119. | ||
6. | skn-rbt LD50:15,800 mg/kg | 34ZIAG Toxicology of Drugs and Chemicals ,Deichmann, W.B.,New York, NY.: Academic Press, Inc.,1969,745. |