Phosphorodiamidicchloride, N,N-bis(2-chloroethyl)-N'-(4-methylphenyl)- (9CI) 53382-89-1 CAS NO.53382-89-1

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Product Details

Keywords

Phosphorodiamidicchloride, N,N-bis(2-chloroethyl)-N'-(4-methylphenyl)- (9CI)
Phosphorodiamidicchloride, N,N-bis(2-chloroethyl)-N'-(4-methylphenyl)- (9CI)
53382-89-1

Quick Details

ProName: Phosphorodiamidicchloride, N,N-bis(2-c...
CasNo: 53382-89-1
Molecular Formula: C11H16 Cl3 N2 O P
Appearance: Solid
Application: Organic Chemicals
DeliveryTime: As client's demand quantity
PackAge: as requested
Port: SHANGHAI
ProductionCapacity: 100 Kilogram/Month
Purity: 99%
Storage: room temperature
Transportation: as requested
LimitNum: 1 Gram
Heavy metal: N/A
Grade: Industrial Grade

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Details

Identification and Related Records
【Name】
Phosphorodiamidicchloride, N,N-bis(2-chloroethyl)-N'-(4-methylphenyl)- (9CI)
【Iupac name】
N-[bis(2-chloroethyl)amino-chlorophosphoryl]-4-methylaniline
【CAS Registry number】
53382-89-1
【Synonyms】
NSC 289353
【Molecular Formula】
C11H16 Cl3 N2 O P (Products with the same molecular formula)
【Molecular Weight】
329.5903
【Inchi】
InChI=1/C11H16Cl3N2OP/c1-10-2-4-11(5-3-10)15-18(14,17)16(8-6-12)9-7-13/h2-5H,6-9H2,1H3,(H,15,17)
【Canonical SMILES】
CC1=CC=C(C=C1)NP(=O)(N(CCCl)CCCl)Cl
Chemical and Physical Properties
【Density】
1.371g/cm3
【Boiling Point】
414.8°Cat760mmHg
【Refractive Index】
1.578
【Flash Point】
204.7°C
【Computed Properties】
Molecular Weight:329.590301 [g/mol]
Molecular Formula:C11H16Cl3N2OP
XLogP3-AA:3.8
H-Bond Donor:1
H-Bond Acceptor:3
Rotatable Bond Count:7
Tautomer Count:2
Exact Mass:328.006583
MonoIsotopic Mass:328.006583
Topological Polar Surface Area:32.3
Heavy Atom Count:18
Formal Charge:0
Complexity:280
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
Feature 3D Acceptor Count:1
Feature 3D Ring Count:1
Effective Rotor Count:7
Conformer Sampling RMSD:0.8
CID Conformer Count:66

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