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CAS No.: | 99-62-7 |
---|---|
Name: | 1,3-DIISOPROPYLBENZENE |
Article Data: | 78 |
Molecular Structure: | |
Formula: | C12H18 |
Molecular Weight: | 162.275 |
Synonyms: | Benzene,m-diisopropyl- (8CI); 1,3-Bis(1-methylethyl)benzene; 1,3-Diisopropylbenzene;m-Di-iso-propylbenzene; m-Diisopropylbenzene; m-Diisopropylbenzene |
Density: | 0.855g/cm3 |
Melting Point: |
−63 °C(lit.) |
Boiling Point: |
203 °C(lit.) |
Flash Point: | 76.7°C |
Solubility: | Soluble in water 4.33 mg/L at 25°C. |
Appearance: | CLEAR COLOURLESS LIQUID |
Risk Codes: | 33 |
Safety: | Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits acrid smoke and fumes. |
PSA: | 0.00000 |
LogP: | 3.93340 |
Conditions | Yield |
---|---|
With palladium 10% on activated carbon; hydrogen In dichloromethane under 3750.38 Torr; for 19h; | 88% |
2,6-diisopropylbenzenamine
1,3-diisopropylbenzene
Conditions | Yield |
---|---|
With n-Butyl nitrite at 60℃; for 5h; | 82% |
Multi-step reaction with 2 steps 1.1: hydrogenchloride; sodium nitrite / water; ethanol / 1 h / 0 °C / Inert atmosphere 1.2: 0.83 h / Inert atmosphere; Reflux 2.1: C52H49PRu; potassium phosphate monohydrate; bis(dibenzylideneacetone)-palladium(0); Ethyl 4-bromobenzoate / 1,4-dioxane / 4 h / 100 °C / Inert atmosphere View Scheme |
2,6-di(isopropyl)-N-methyleneaniline
A
1,3-diisopropylbenzene
B
2,6-diisopropylbenzenamine
Conditions | Yield |
---|---|
With n-Butyl nitrite at 40℃; for 20h; | A 70% B n/a |
2-isopropoxyphenylboronic acid
A
1,3-diisopropylbenzene
B
2,2′-diisopropoxybiphenyl
C
2,6-diisopropyl-2'-isopropoxybiphenyl
Conditions | Yield |
---|---|
With potassium phosphate monohydrate; Ethyl 4-bromobenzoate; C52H49PRu; bis(dibenzylideneacetone)-palladium(0) In 1,4-dioxane at 100℃; for 4h; Suzuki-Miyaura Coupling; Inert atmosphere; | A 5% B 13% C 69% |
2-Methylphenylboronic acid
A
1,3-diisopropylbenzene
B
2,2'-dimethyl-1,1'-biphenyl
C
2,6-diisopropyl-2'-methylbiphenyl
Conditions | Yield |
---|---|
With potassium phosphate monohydrate; Ethyl 4-bromobenzoate; C52H49PRu; bis(dibenzylideneacetone)-palladium(0) In 1,4-dioxane at 100℃; for 4h; Suzuki-Miyaura Coupling; Inert atmosphere; | A 14% B 27% C 64% |
n-Butyl nitrite
2,6-diisopropylbenzenamine
A
1,3-diisopropylbenzene
B
2-Butoxy-1,3-diisopropylbenzene
Conditions | Yield |
---|---|
With tetrachloromethane for 5h; | A n/a B 10% C 58% |
2,6-diisopropylbenzenamine
A
1,3-diisopropylbenzene
B
2-Butoxy-1,3-diisopropylbenzene
Conditions | Yield |
---|---|
With tetrachloromethane; n-Butyl nitrite for 5h; | A n/a B 10% C 58% |
A
1-methoxy-1,2,2-tris(diisopropylphenyl)germane
B
1,3-diisopropylbenzene
Conditions | Yield |
---|---|
With methanol In 1,2-dimethoxyethane under protective gas, MeOH is vac.-transfered at -78°C to suspn. of Ge compd. in DME, warming to 20°C; evapn., crystn. (hexane) yields Ge compd.; | A 54% B n/a |
2,6-diisopropylbenzenamine
copper(I) cyanide
A
1,3-diisopropylbenzene
B
1,3-diisopropyl-2-nitrobenzene
C
2,6-diisopropylphenyl isocyanide
Conditions | Yield |
---|---|
With tert.-butylnitrite In dimethyl sulfoxide at 60℃; for 1.5h; | A 13% B 9% C 52% D n/a |
2,6-diisopropylbenzenamine
A
1,3-diisopropylbenzene
B
1,3-diisopropyl-2-nitrobenzene
C
2,6-diisopropylphenyl isocyanide
Conditions | Yield |
---|---|
With tert.-butylnitrite In dimethyl sulfoxide at 60℃; for 1.5h; | A 13% B 9% C 52% D n/a |
With tert.-butylnitrite In dimethyl sulfoxide at 60℃; for 1.5h; Title compound not separated from byproducts; | A 13% B 9% C 52% D n/a |
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IUPAC Name: 1,3-Di(propan-2-yl)benzene
The molecular formula of 1,3-Diisopropylbenzene (CAS NO.99-62-7) is C12H18.
The molecular weight of 1,3-Diisopropylbenzene (CAS NO.99-62-7) is 162.27.
Synonyms of 1,3-Diisopropylbenzene (CAS NO.99-62-7): Benzene, 1,3-bis(1-methylethyl)- ; 1,3-Bis(1-methylethyl)benzene ; 3-Isopropylcumene ; Benzene, 1,3-diisopropyl-
Apperance: clear colourless liquid
Index of Refraction: 1.488
EINECS: 202-773-1
Density: 0.855 g/ml
Flash Point: 76.7 °C
Boiling Point: 203.2 °C
Melting Point: -63 °C
BRN: 1905828
1,3-Diisopropylbenzene (CAS NO.99-62-7) is used as chemical reagent, organic intermediates, fine chemicals, pharmaceutical research and development .
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 1650mg/kg (1650mg/kg) | "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 54, 1982. | |
mouse | LD50 | oral | 3100mg/kg (3100mg/kg) | "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 54, 1982. | |
mouse | LD50 | unreported | 3100mg/kg (3100mg/kg) | PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE) BEHAVIORAL: EXCITEMENT BEHAVIORAL: TREMOR | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 36(9), Pg. 18, 1971. |
rat | LD50 | oral | 7400mg/kg (7400mg/kg) | "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 54, 1982. | |
rat | LD50 | unreported | 8630mg/kg (8630mg/kg) | PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE) BEHAVIORAL: TREMOR BEHAVIORAL: EXCITEMENT | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 36(9), Pg. 18, 1971. |
Reported in EPA TSCA Inventory.
Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits acrid smoke and fumes.Safety information of 1,3-Diisopropylbenzene (CAS NO.99-62-7):
Risk Statements 33
R33:Danger of cumulative effects.
RIDADR UN 3082 9/PG 3
WGK Germany 2
RTECS CZ6334000
HazardClass 9
PackingGroup III