AG003LSR

98-57-7 | 1-Chloro-4-(methylsulfonyl)benzene

AG003LSR

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CAS Number	98-57-7
Catalog Number	AG003LSR(AGN-PC-0JK82L)
Chemical Name	1-Chloro-4-(methylsulfonyl)benzene
EC Number	202-682-7
IUPAC Name	1-chloro-4-methylsulfonylbenzene
InChI	InChI=1S/C7H7ClO2S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5H,1H3
InChI Key	LMCOQDVJBWVNNI-UHFFFAOYSA-N
MDL Number	MFCD00025067
Molecular Formula	C7H7ClO2S
Molecular Weight	190.6473
NSC Number	74456
SMILES	C1=C([S](C)(=O)=O)C=CC(=C1)Cl
UNII	BSP7WNI0XX
Synonyms	4-chlorophenyl methyl sulfone, CPMSO2, para-chlorophenyl methyl sulfone, 4-Chlorophenyl methyl sulfone, 98-57-7, 1-CHLORO-4-(METHYLSULFONYL)BENZENE, p-Chlorophenyl methyl sulfone, 4-Methylsulfuryl Chlorobenzene, Benzene, 1-chloro-4-(methylsulfonyl)-, Methyl 4-chlorophenyl sulfone, Sulfone, p-chlorophenyl methyl, 1-Chloro-4-(methylsulphonyl)benzene, Methyl p-chlorophenyl sulfone, CCRIS 6733, BSP7WNI0XX, UNII-BSP7WNI0XX, EINECS 202-682-7, NSC 74456, 4-Chlorophenylmethylsulfone, 4-Chlorophenylmethyl sulfone, BRN 0638281, LMCOQDVJBWVNNI-UHFFFAOYSA-N, 4-chloro-1-(methylsulfonyl)benzene, MFCD00025067, DSSTox_CID_3974, DSSTox_RID_77245, DSSTox_GSID_23974, CAS-98-57-7, P-Methylsulfonylchlorobenzene, 4-Methylsulfurylchlorobenzene, PubChem10874, ACMC-209san, AC1L1ONY, Maybridge1_004357, AC1Q6UA4, 4-methylsulfonylchlorobenzene, 4-methanesulfonylchlorobenzene, KSC492S3L, SCHEMBL265232, CHEMBL1863623, DTXSID3023974, methyl (4-chlorophenyl) sulfone, 1-chloro-4-methylsulfonylbenzene, CTK3J2935, HMS553O03, ZINC75300, 1-chloro-4-methanesulfonylbenzene, 1-chloro-4-methylsulfonyl benzene, KS-00000D5J, NSC74456, Tox21_201867, Tox21_303181, 1-Chloro-4-(methanesulfonyl)benzene, 1-chloro-4-(methylsulfonyl)-benzene, 4-Chlorophenyl methyl sulfone, 98%, ANW-40941, NSC-74456, SBB006326, AKOS001023639, MCULE-8462173547, PS-3187, RP25023, RTR-032921, TRA0036552, VZ35419, NCGC00164204-01, NCGC00164204-02, NCGC00257203-01, NCGC00259416-01, AC-16493, AJ-10348, BR-50496, CJ-00589, SC-46719, ST024123, SY008978, ZB002700, LS-147989, ST2408750, TL8006879, TR-032921, C1237, FT-0607627, W9850, MFCD00025067 (98%), M-4106, (4-chlorophenyl)(methyl)dioxo-lambda~6~-sulfane, I01-6462, W-100074, InChI=1/C7H7ClO2S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5H,1H, p-Chlorophenyl methyl sulfone solution, vial of 100 mg, analytical standard, C7H7ClO2S, C7-H7-Cl-O2-S, CID7395, 1-chlor-4-(methylsulfonyl)benzen, AR-1G1948, 4-06-00-01582 (Beilstein Handbook Reference), 4-Chlorophenyl methyl sulfone, 97% - 1G 1g, A11291, 6271-02-9,

Complexity	209
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	189.986g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	190.641g/mol
Monoisotopic Mass	189.986g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	42.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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