CAS No.123-04-6,3-(Chloromethyl)heptane Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	123-04-6
Name:	3-(Chloromethyl)heptane
Article Data:	17

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

Synthetic route

: 104-76-7
2-Ethylhexyl alcohol

: 123-04-6
3-(chloromethyl)heptane

Conditions

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%

: 24468-13-1
2-Ethylhexyl chloroformate

: 123-04-6
3-(chloromethyl)heptane

Conditions

Conditions	Yield
With N,N-dimethyl-formamide In chloroform at 72℃;	86%
pyrographite

: 104-76-7
2-Ethylhexyl alcohol

: 98-88-4
benzoyl chloride

A: 123-04-6
3-(chloromethyl)heptane

B: 5444-75-7
Velate 368

Conditions

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.

...Expand

: 104-76-7
2-Ethylhexyl alcohol

: 100-07-2
4-methoxy-benzoyl chloride

A: 123-04-6
3-(chloromethyl)heptane

B: 2-ethyl-1-hexyl 4-methoxybenzoate

Conditions

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

...Expand

: 104-76-7
2-Ethylhexyl alcohol

: 68-12-2, 33513-42-7
N,N-dimethyl-formamide

A: 123-04-6
3-(chloromethyl)heptane

B: 5460-45-7
(2-ethylhex-1-yl) formiate

Conditions

Conditions	Yield
With benzoyl chloride at 100℃; for 2.25h;	A 65% B n/a

...Expand

: 301-13-3
tris(2-ethylhexyl) phosphite

: 2315-36-8
2-Chloro-N,N-diethylacetamide

A: 123-04-6
3-(chloromethyl)heptane

B: 66258-31-9
bis(2-ethyl-1-hexyl) (N,N-diethylcarbamoylmethyl)phosphonate

Conditions

Conditions	Yield
at 165 - 170℃; under 160 - 200 Torr;	A n/a B 62.1%

...Expand

: 2,4-bis(biphenyl-4-yl)-6-((2,4-dihydroxy)phenyl)-1,3,5-triazine

: 123-04-6
3-(chloromethyl)heptane

: 204583-39-1
2-(2-hydroxy-4-(2-ethylhexyl)oxy)phenyl-4,6-bis(4-phenyl)phenyl-1,3,5-triazine

Conditions

Conditions	Yield
With tetrabutylammomium bromide; sodium hydroxide In n-heptane; water at 70 - 90℃; for 5h; Temperature;	95.08%

: 123-04-6
3-(chloromethyl)heptane

: 25430-97-1
bis-(2-ethyl-hexyl)-tin (2+); dichloride

: 96582-33-1
Sn{CH2CH(C2H5)C4H9}4

Conditions

Conditions	Yield
With Na	93.6%
With sodium	93.6%

: 123-04-6
3-(chloromethyl)heptane

: 13067-81-7
(2-ethylhexyl)lithium

Conditions

Conditions	Yield
With lithium In n-heptane at 20℃;	90%

: 123-04-6
3-(chloromethyl)heptane

: 5188-07-8
sodium thiomethoxide

: 1225278-92-1
methyl 2-ethylhexyl sulfone

Conditions

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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Chemistry

IUPAC Name: 3-(chloromethyl)heptane
The MF of 2-ETHYLHEXYL-1-CHLORIDE(123-04-6): C₈H₁₇Cl
The MW of 2-ETHYLHEXYL-1-CHLORIDE(123-04-6): 148.67
EINECS: 204-594-4
mp: -70 °C
bp: 166-168 °C
Fp: 60 °C
density: 0.882
refractive index: 1.432-1.436
Appearance: Clear, colorless liquid.
Water Solubility: 0.0503 g/L (20 °C)
Synonyms: 3-(chloromethyl)-heptan;3-chloromethyl-heptan;Chloro-iso-octane;Heptane, 3-(chloromethyl)-;hexane,1-chloro-2-ethyl-;TIMTEC-BB SBB005809;2-ETHYLHEXYL CHLORIDE;1-CHLORO-2-ETHYLHEXANE
The Structure of 2-ETHYLHEXYL-1-CHLORIDE(123-04-6):

Uses

2-ETHYLHEXYL-1-CHLORIDE(123-04-6) is used as chemical intermediate.

Toxicity Data With Reference

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.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Mildly toxic by ingestion, inhalation, and skin contact. A skin and eye irritant. Flammable liquid when exposed to heat or flame; can react vigorously with oxidizing materials. To fight fire, use foam, CO₂, dry chemical. When heated to decomposition it emits highly toxic fumes of phosgene and Cl⁻. See also CHLORINATED HYDROCARBONS, ALIPHATIC.
Hazard Codes:

Xi
Risk Statements: 36/37/38
36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 37/39-26
37/39: Wear suitable gloves and eye/face protection
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
RTECS: MI8760000

Specification

1. First Aid Measures
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water. Get medical aid immediately. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Get medical aid immediately. Remove from exposure to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
Skin:
Get medical aid. Flush skin with plenty of soap and water for at least 15 minutes while removing contaminated clothing and shoes. Remove contaminated clothing and shoes.
Eyes:
Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
2. Handling and Storage
Storage:
Keep away from heat, sparks, and flame.
Handling:
Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Avoid contact with heat, sparks and flame. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames.