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3- (Chloromethyl) heptane 95%

CAT: 0286-C14680-01Size: 5 gDry Ice: NoHazardous: Yes
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CAT#:0286-C14680-01Size:5 g
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CAS Number
123-04-6
Synonyms
2-Ethylhexyl chloride
UN Code
UN1993
Pictogram
02 - Flammable; 07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00018940
Hazard Statement
H226 Flammable liquid and vapor; H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Flammable Liquids, N.O.S.
DOT Classification
Class 3
Packaging Group
PGIII
Precautions
P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking; P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention; P403+P235 Store in a well-ventilated place. Keep cool.

Chemical Information

2-Ethylhexyl chloride
CAS Number123-04-6
PubChem CID31240
IUPAC Name3-(chloromethyl)heptane
Molecular FormulaC8H17Cl
Molecular Weight148.67
XLogP4.4
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count5
Heavy Atom Count9
Formal Charge0
Complexity52
SMILES
CCCCC(CC)CCl
InChI
InChI=1S/C8H17Cl/c1-3-5-6-8(4-2)7-9/h8H,3-7H2,1-2H3
InChIKey
WLVCBAMXYMWGLJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Ethylhexyl chloride
CAS: 123-04-6
CID: 31240
Formula: C8H17Cl
MW: 148.67
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight148.67
XLogP34.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count5
Exact Mass148.1018782
Monoisotopic Mass148.1018782
Topological Polar Surface Area0 Ų
Heavy Atom Count9
Formal Charge0
Complexity52.5
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
OR10106923- (Chloromethyl) -Heptane
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UND37441-016- (Chloromethyl) -5-azaspiro[2.4]heptane hydrochloride
OR265407- (Chloromethyl) -2-azoniabicyclo[2.2.1]heptane perchlorate
TRC-C371570-5MG3-(Chloromethyl)-3-methyl-7-oxo-4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic Acid Diphenylmethyl Ester
423116-013- (Chloromethyl) -3-methyl-7-oxo-4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic Acid Diphenylmethyl Ester
AR-B07178-01(1R,2S,4S,7R) -rel-2,5,5-Trichloro-7- (Chloromethyl) -1,7-Bis (dichloromethyl) -Bicyclo[2.2.1]heptane
AR-B07175-01(1R,4R,5R,6R) -rel-2,2,5,6-Tetrachloro-1,7,7-Tris (chloromethyl) -Bicyclo[2.2.1]heptane
AR-B07176-01(2R,3R,5S,6R) -rel-2,3,5,6-Tetrachloro-7,7-Bis- (chloromethyl) -1- (Dichloromethyl) -Bicyclo[2.2.1]heptane

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