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Product No: BD4400

3-(Chloromethyl)heptane, 98%

Name: 3-(Chloromethyl)heptane
Brand: Chempure

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CAS Number

123-04-6

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About this item

IUPAC name	3-(chloromethyl)heptane
canonical smiles	CCCCC(CC)CCl
inchi	InChI=1S/C8H17Cl/c1-3-5-6-8(4-2)7-9/h8H,3-7H2,1-2H3
inchi key	WLVCBAMXYMWGLJ-UHFFFAOYSA-N
molecular formula	C8H17Cl
synonyms	3-(CHLOROMETHYL)HEPTANE 123-04-6 2-Ethylhexyl chloride Heptane, 3-(chloromethyl)- 1-Chloro-2-ethylhexane

Computed Properties

Molecular Weight:	148.67 g/mol
XLogP3:	4.4
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	0
Rotatable Bond Count:	5
Exact Mass:	148.1018782 g/mol
Monoisotopic Mass:	148.1018782 g/mol
Topological Polar Surface Area:	0 Å²
Heavy Atom Count:	9
Formal Charge:	0
Complexity:	52.5
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

2-Ethylhexan-1-ol

n-HEXANE

Heptane

Diallyl sulfide

2-Ethylhexanal

Allicin

1-Bromohexane

Dipropyl sulfide

1-Heptene

Diethyl disulfide

3-Nonanone

Methyl propyl disulfide

cis-2-Octene

trans-2-Octene

Methyl propyl trisulfide

hazard signal	Warning
hazard classes and categories	Flam. Liq. 3 (100%) Skin Irrit. 2 (100%) Skin Sens. 1 (76.51%) Aquatic Acute 1 (76.51%) Aquatic Chronic 1 (76.51%) Aquatic Chronic 4 (22.89%)
precautionary statement codes	P210, P233, P240, P241, P242, P243, P261, P264, P272, P273, P280, P302+P352, P303+P361+P353, P321, P332+P317, P333+P317, P362+P364, P370+P378, P391, P403+P235, and P501
hazard statements	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (76.51%): May cause an allergic skin reaction [Warning Sensitization, Skin] H400 (76.51%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (76.51%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard] H413 (22.89%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

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About this item

Documentation

Certificate of Analysis

Lot Number

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CAS #

*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	3-(chloromethyl)heptane
canonical smiles	CCCCC(CC)CCl
inchi	InChI=1S/C8H17Cl/c1-3-5-6-8(4-2)7-9/h8H,3-7H2,1-2H3
inchi key	WLVCBAMXYMWGLJ-UHFFFAOYSA-N
molecular formula	C8H17Cl
synonyms	3-(CHLOROMETHYL)HEPTANE 123-04-6 2-Ethylhexyl chloride Heptane, 3-(chloromethyl)- 1-Chloro-2-ethylhexane

Computed Properties

Molecular Weight:	148.67 g/mol
XLogP3:	4.4
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	0
Rotatable Bond Count:	5
Exact Mass:	148.1018782 g/mol
Monoisotopic Mass:	148.1018782 g/mol
Topological Polar Surface Area:	0 Å²
Heavy Atom Count:	9
Formal Charge:	0
Complexity:	52.5
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

2-Ethylhexan-1-ol

n-HEXANE

Heptane

Diallyl sulfide

2-Ethylhexanal

Allicin

1-Bromohexane

Dipropyl sulfide

1-Heptene

Diethyl disulfide

3-Nonanone

Methyl propyl disulfide

cis-2-Octene

trans-2-Octene

Methyl propyl trisulfide

hazard signal	Warning
hazard classes and categories	Flam. Liq. 3 (100%) Skin Irrit. 2 (100%) Skin Sens. 1 (76.51%) Aquatic Acute 1 (76.51%) Aquatic Chronic 1 (76.51%) Aquatic Chronic 4 (22.89%)
precautionary statement codes	P210, P233, P240, P241, P242, P243, P261, P264, P272, P273, P280, P302+P352, P303+P361+P353, P321, P332+P317, P333+P317, P362+P364, P370+P378, P391, P403+P235, and P501
hazard statements	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (76.51%): May cause an allergic skin reaction [Warning Sensitization, Skin] H400 (76.51%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (76.51%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard] H413 (22.89%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

Product No: BD4400

3-(Chloromethyl)heptane, 98%

Product No: BD4400

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: BD4400

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?