1,2,4-Trichlorobutane

CAT: 1299-RG-A262001-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-A262001-01Size:10 mg

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CAS Number

1790-22-3

Synonyms

1,2,4-trichlorobutane

Molecular Formula

C4H7Cl3

Molecular Weight

161.45

Product Name Synonym

1,2,4-trichlorobutane

Chemical Information

1,2,4-Trichlorobutane

CAS Number	1790-22-3
PubChem CID	15707
IUPAC Name	1,2,4-trichlorobutane
Molecular Formula	C4H7Cl3
Molecular Weight	161.45
XLogP	2.4
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	3
Heavy Atom Count	7
Formal Charge	0
Complexity	37

SMILES

C(CCl)C(CCl)Cl

InChI

InChI=1S/C4H7Cl3/c5-2-1-4(7)3-6/h4H,1-3H2

InChIKey

PIQHRAXKAGNHCM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1790-22-3

CID: 15707

Formula: C4H7Cl3

MW: 161.45

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	161.45
XLogP3	2.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	3
Exact Mass	159.961333
Monoisotopic Mass	159.961333
Topological Polar Surface Area	0 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	37.9
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

Catalog	Name
RG-A260301-01	4,4'-Bis (2,2-Diphenylvinyl) -1,1'-Biphenyl
RG-A262732-01	2,2'-Dichloro-[1,1'-Biphenyl]-4,4'-Diamine
RG-E140964-01	4-chloropyrrolo[2,1-f][1,2,4]triazin-2-amine
RG-H052411-01	2,2',4,4',6,6'-Hexabromo-1,1'-Biphenyl
RG-E242722-01	4,4'-diamino-[1,1'-biphenyl]-2,2'-dicarboxylic acid
RG-T180929-01	1,2,4-Trimethoxybenzene
RG-T182600-01	1,2,4-Triazole
RM-T590540-01	1,2,4-Trimethylbenzene
RG-E141247-01	2,4,4-trimethylpent-1-ene
RG-A262322-01	1- (2,4-Dimethylphenyl) -4,4,4-Trifluorobutane-1,3-Dione

Catalog	Name
PC6397-01	2,2,4,4,4-Pentafluoro-1,1,1-trichlorobutane
PC3887-01	1,1,1,4,4,4-Hexafluoro-2,2,3-trichlorobutane
PC4516-01	Heptafluoro-2,2,3-trichlorobutane
H01250	Heptafluoro-2,3,3-Trichlorobutane 97%
PC106426	1,2,2-Tribromo-1,1,4,4,4-pentafluorobutane
sc-311678	2,2-Dichloro-1,1,1,4,4,4-hexafluorobutane
PC107075	2-Iodo-1,1,1,2,4,4,4-heptafluorobutane
sc-351982	1,1,1,2,4,4,4-Heptafluorobutane
OR1047236-01	[1,1':4',1''-Terphenyl]-2,2'',4,4''-tetracarboxylic acid
OR1033436-01	2,2''-Dimethyl-[1,1':4',1''-terphenyl]-4,4''-dicarboxylicacid