1,2-Di-Tert-Butylbenzene
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Product Description
Product
1,2-Di-Tert-Butylbenzene
CAS
1012-76-6
Formula
C14H22
Synonym
1,2-Di-tert-butylbenzene, 1,2-ditert-butylbenzene, 1012-76-6, di-t-butylbenzene, benzene, 1,2-bis(1,1-dimethylethyl)-, DTXSID50143774
Typical Product Specifications
Molecular weight
190.32
Molecular weight
258.10
EINECS
202-930-4
SMILES
c1(cc(ccc1)Cl)NC(OCC#CCCl)=O
InChI
1S/C11H9Cl2NO2/c12-6-1-2-7-16-11(15)14-10-5-3-4-9(13)8-10/h3-5,8H,6-7H2,(H,14,15)
InChIKey
MCOQHIWZJUDQIC-UHFFFAOYSA-N
Boiling Point
224 dec ° C
Atmospheric OH Rate Constant
5.54E-11 cm3/molecule-sec
Henry's Law Constant
1.17E-08 atm-m3/mole
Vapor Pressure
3.80E-07 mm Hg
Melting Point
75 ° C
log P (octanol-water)
3.410
Water solubility
11 mg/L
Molecular weight
275.52
EINECS
202-910-5
SMILES
c1(Nc2c(cccc2)Cl)nc(nc(n1)Cl)Cl
InChI
1S/C9H5Cl3N4/c10-5-3-1-2-4-6(5)13-9-15-7(11)14-8(12)16-9/h1-4H,(H,13,14,15,16)
InChIKey
IMHBYKMAHXWHRP-UHFFFAOYSA-N
log P (octanol-water)
3.88
Water solubility
8 mg/L
Atmospheric OH Rate Constant
4.28E-11 cm3/molecule-sec
Vapor Pressure
6.20E-09 mm Hg
Henry's Law Constant
2.81E-10 atm-m3/mole
Melting Point
160 ° C
Molecular weight
186.17
EINECS
202-928-3
SMILES
O=NN1CN2CN(CN(C2)N=O)C1
InChI
1S/C5H10N6O2/c12-6-10-2-8-1-9(4-10)5-11(3-8)7-13/h1-5H2
InChIKey
MWRWFPQBGSZWNV-UHFFFAOYSA-N
Molecular weight
258.10
EINECS
202-930-4
SMILES
c1(cc(ccc1)Cl)NC(OCC#CCCl)=O
InChI
1S/C11H9Cl2NO2/c12-6-1-2-7-16-11(15)14-10-5-3-4-9(13)8-10/h3-5,8H,6-7H2,(H,14,15)
InChIKey
MCOQHIWZJUDQIC-UHFFFAOYSA-N
Boiling Point
224 dec ° C
Atmospheric OH Rate Constant
5.54E-11 cm3/molecule-sec
Henry's Law Constant
1.17E-08 atm-m3/mole
Vapor Pressure
3.80E-07 mm Hg
Melting Point
75 ° C
log P (octanol-water)
3.410
Water solubility
11 mg/L
Class
Industry
1,2-Di-Tert-Butylbenzene
Product Description
Product
1,2-Di-Tert-Butylbenzene
CAS
1012-76-6
Formula
C14H22
Synonym
1,2-Di-tert-butylbenzene, 1,2-ditert-butylbenzene, 1012-76-6, di-t-butylbenzene, benzene, 1,2-bis(1,1-dimethylethyl)-, DTXSID50143774
Typical Product Specifications
Molecular weight
190.32
Molecular weight
258.10
EINECS
202-930-4
SMILES
c1(cc(ccc1)Cl)NC(OCC#CCCl)=O
InChI
1S/C11H9Cl2NO2/c12-6-1-2-7-16-11(15)14-10-5-3-4-9(13)8-10/h3-5,8H,6-7H2,(H,14,15)
InChIKey
MCOQHIWZJUDQIC-UHFFFAOYSA-N
Boiling Point
224 dec ° C
Atmospheric OH Rate Constant
5.54E-11 cm3/molecule-sec
Henry's Law Constant
1.17E-08 atm-m3/mole
Vapor Pressure
3.80E-07 mm Hg
Melting Point
75 ° C
log P (octanol-water)
3.410
Water solubility
11 mg/L
Molecular weight
275.52
EINECS
202-910-5
SMILES
c1(Nc2c(cccc2)Cl)nc(nc(n1)Cl)Cl
InChI
1S/C9H5Cl3N4/c10-5-3-1-2-4-6(5)13-9-15-7(11)14-8(12)16-9/h1-4H,(H,13,14,15,16)
InChIKey
IMHBYKMAHXWHRP-UHFFFAOYSA-N
log P (octanol-water)
3.88
Water solubility
8 mg/L
Atmospheric OH Rate Constant
4.28E-11 cm3/molecule-sec
Vapor Pressure
6.20E-09 mm Hg
Henry's Law Constant
2.81E-10 atm-m3/mole
Melting Point
160 ° C
Molecular weight
186.17
EINECS
202-928-3
SMILES
O=NN1CN2CN(CN(C2)N=O)C1
InChI
1S/C5H10N6O2/c12-6-10-2-8-1-9(4-10)5-11(3-8)7-13/h1-5H2
InChIKey
MWRWFPQBGSZWNV-UHFFFAOYSA-N
Molecular weight
258.10
EINECS
202-930-4
SMILES
c1(cc(ccc1)Cl)NC(OCC#CCCl)=O
InChI
1S/C11H9Cl2NO2/c12-6-1-2-7-16-11(15)14-10-5-3-4-9(13)8-10/h3-5,8H,6-7H2,(H,14,15)
InChIKey
MCOQHIWZJUDQIC-UHFFFAOYSA-N
Boiling Point
224 dec ° C
Atmospheric OH Rate Constant
5.54E-11 cm3/molecule-sec
Henry's Law Constant
1.17E-08 atm-m3/mole
Vapor Pressure
3.80E-07 mm Hg
Melting Point
75 ° C
log P (octanol-water)
3.410
Water solubility
11 mg/L
Class
Industry
