2-CHLORO-4-METHYLBENZENESULFONYL CHLORIDE(CAS No. 55311-94-9) CAS NO.55311-94-9

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Product Details

Keywords

2-chloro-4-methyl-benzenesulfonyl chloride
55311-94-9
98%

Quick Details

ProName: 2-CHLORO-4-METHYLBENZENESULFONYL CHLOR...
CasNo: 55311-94-9
Molecular Formula: C7H6Cl2O2S
Appearance: Solid
Application: Organic Chemicals
DeliveryTime: According to client's demand quantity
PackAge: as requested
Port: SHANGHAI
ProductionCapacity: 10 Kilogram/Month
Purity: 99%
Storage: room temperature
Transportation: as requested
LimitNum: 1 Gram

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Details

【Name】
2-CHLORO-4-METHYLBENZENESULFONYL CHLORIDE
【CAS Registry number】
55311-94-9
【Synonyms】
benzenesulfonyl chloride, 2-chloro-4-methyl-
【Molecular Formula】
C7H6Cl2O2S (Products with the same molecular formula)
【Molecular Weight】
0
【Inchi】
InChI=1/C7H6Cl2O2S/c1-5-2-3-7(6(8)4-5)12(9,10)11/h2-4H,1H3
【Canonical SMILES】
CC1=CC(=C(C=C1)S(=O)(=O)Cl)Cl
【MOL File】
55311-94-9.mol
Chemical and Physical Properties
【Density】
1.458g/cm3
【Boiling Point】
305.3°C at 760 mmHg
【Refractive Index】
1.559
【Flash Point】
138.4°C
【Computed Properties】
Molecular Weight:225.09234 [g/mol]
Molecular Formula:C7H6Cl2O2S
XLogP3-AA:2.9
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:1
Exact Mass:223.946556
MonoIsotopic Mass:223.946556
Topological Polar Surface Area:42.5
Heavy Atom Count:12
Formal Charge:0
Complexity:245
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Ring Count:1
Effective Rotor Count:1
Conformer Sampling RMSD:0.4
CID Conformer Count:4

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