CAS
98231-07-3 Purity
97%
98231-07-3 Purity
97%
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Benzene,5-(1,1-dimethylethyl)-1,2,3-trimethyl-
CAS
98-23-7
Catalog Number
ACM98237
Category
Other Products
Molecular Weight
176.3
Molecular Formula
C13H20
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Specification
Synonyms
5-tert-Butyl-1,2,3-trimethylbenzene, 5-t-Butyl-1,2,3-trimethylbenzene, EINECS 202-648-1, CID66811, 1-tert-Butyl-3,4,5-trimethylbenzene, FR-0286, Benzene, 5-(1,1-dimethylethyl)-1,2,3-trimethyl-, 98-23-7
IUPAC Name
5-tert-butyl-1,2,3-trimethylbenzene
InChI Key
ZQVJKYPEIPJEIP-UHFFFAOYSA-N
Melting Point
31-33℃
Exact Mass
176.15700
H-Bond Acceptor
0
H-Bond Donor
0
Safety Description
24/25
What is the molecular formula of Benzene, 5-(1,1-dimethylethyl)-1,2,3-trimethyl?
The molecular formula is C13H20.
What is the IUPAC name of Benzene, 5-(1,1-dimethylethyl)-1,2,3-trimethyl?
The IUPAC name is 5-tert-butyl-1,2,3-trimethylbenzene.
What is the InChI of Benzene, 5-(1,1-dimethylethyl)-1,2,3-trimethyl?
The InChI is InChI=1S/C13H20/c1-9-7-12(13(4,5)6)8-10(2)11(9)3/h7-8H,1-6H3.
What is the InChIKey of Benzene, 5-(1,1-dimethylethyl)-1,2,3-trimethyl?
The InChIKey is ZQVJKYPEIPJEIP-UHFFFAOYSA-N.
What is the canonical SMILES of Benzene, 5-(1,1-dimethylethyl)-1,2,3-trimethyl?
The canonical SMILES is CC1=CC(=CC(=C1C)C)C(C)(C)C.
What is the molecular weight of Benzene, 5-(1,1-dimethylethyl)-1,2,3-trimethyl?
The molecular weight is 176.30 g/mol.
What is the CAS number of Benzene, 5-(1,1-dimethylethyl)-1,2,3-trimethyl?
The CAS number is 98-23-7.
What is the European Community (EC) number of Benzene, 5-(1,1-dimethylethyl)-1,2,3-trimethyl?
The EC number is 202-648-1.
What is the UNII of Benzene, 5-(1,1-dimethylethyl)-1,2,3-trimethyl?
The UNII is 36NBO9ZA2F.
Is Benzene, 5-(1,1-dimethylethyl)-1,2,3-trimethyl a canonicalized compound?
Yes, it is a canonicalized compound according to PubChem.
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