Tris (2-Chloro-1-Methylethyl) Phosphate

CAT: 0127-OR1015377-01Size: 100 mLDry Ice: NoHazardous: No

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CAT#:0127-OR1015377-01Size:100 mL

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CAS Number

13674-84-5

MDL Number

MFCD00040408

Purity

P:9.5%

Smiles

CC(OP(OC(CCl)C)(OC(CCl)C)=O)CCl

Notes

P:9.5%

Chemical Information

Tris(2-chloroisopropyl) phosphate

Tris(1-chloropropan-2-yl) phosphate is a trialkyl phosphate.

CAS Number	13674-84-5
PubChem CID	26176
IUPAC Name	tris(1-chloropropan-2-yl) phosphate
Molecular Formula	C9H18Cl3O4P
Molecular Weight	327.6
XLogP	2.6
Topological Polar Surface Area	44.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	9
Heavy Atom Count	17
Formal Charge	0
Complexity	216

SMILES

CC(CCl)OP(=O)(OC(C)CCl)OC(C)CCl

InChI

InChI=1S/C9H18Cl3O4P/c1-7(4-10)14-17(13,15-8(2)5-11)16-9(3)6-12/h7-9H,4-6H2,1-3H3

InChIKey

KVMPUXDNESXNOH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 13674-84-5

CID: 26176

Formula: C9H18Cl3O4P

MW: 327.6

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	327.6
XLogP3	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	9
Exact Mass	326.000829
Monoisotopic Mass	326.000829
Topological Polar Surface Area	44.8 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	216
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1092560-01	1-Chloro-4-[2-[tris (1-methylethyl) silyl]ethynyl]benzene
OR1088605-01	2,4,6-Tris (1-methylethyl) benzaldehyde
OR1020980	1-Bromo-2-[tris (1-methylethyl) silyloxy]benzene
OR1101114-01	1-Methylethyl 4-chloro-2-pyridinecarboxylate
OR1084714-01	Methyl 3-[tris (1-methylethyl) silyl]-2-propynoate
BUP14863-01	Tris (2-chloroethyl) phosphate
OR1015379-01	Tris (2-Ethylhexyl) Phosphate
OR1022539-01	Tris (2-chloroethyl) phosphate
OR1096886	5-Chloro-2- (1-methylethyl) phenylboronic acid
OR1084605-01	2-Chloro-α-methyl-5- (1-methylethyl) benzenemethanol

Catalog	Name
HY-W023144	Tris (1-chloro-2-propyl) phosphate
TRC-T887860-250MG	Tris(1-chloro-2-propyl) Phosphate
166977	Tris (1-chloro-2-propyl) Phosphate-d18
166976-01	Tris (1-chloro-2-propyl) Phosphate (TCPP)
TRC-T887862-10MG	Tris(1-chloro-2-propyl) Phosphate-d18
FT166935	Tris (1-chloro-2-propyl) phosphate - mixture of isomers
290683-01	Tris (2-butoxyethyl) phosphate
T0653-01	Tris (2-chloroethyl) phosphate
TRC-T875500-1G	Tris(2-chloroethyl)phosphate
TRC-T884650-100G	Tris(2-ethylhexyl) Phosphate