157996
1,3-Cycloheptadiene
95%
Manufacturer: Sigma Aldrich
CAS Number: 4054-38-0
Select a Size
| Pack Size | SKU | Availability | Price |
|---|---|---|---|
| 1 G | 157996-1-G | In Stock | ₹ 12,679.35 |
| 5 G | 157996-5-G | In Stock | ₹ 34,914.45 |
157996 - 1 G
In Stock
Quantity
1
Base Price: ₹ 12,679.35
GST (18%): ₹ 2,282.283
Total Price: ₹ 14,961.633
Assay
95%
impurities
≤3% cycloheptatriene
refractive index
n20/D 1.498 (lit.)
bp
120-121 °C (lit.)
density
0.868 g/mL at 25 °C (lit.)
storage temp.
2-8°C
SMILES string
C1CC=CC=CC1
InChI
1S/C7H10/c1-2-4-6-7-5-3-1/h1-4H,5-7H2
InChI key
GWYPDXLJACEENP-UHFFFAOYSA-N
Related Products
Description
- General description: 1,3-Cycloheptadiene is a 1,3-cycloalkadiene.[1] Isomerization of highly strained (E,E)-1,3-cycloheptadiene was investigated through double bond rotation, and electrocyclic ring closure.[2] [1,5] Sigmatropic hydrogen shifts in 1,3-cyclohepatdiene were studied by density functional calculations.[1]
- Application: 1,3-Cycloheptadiene was used in the preparation of enantiopure epoxy cycloheptenyl sulfones.[3]
SAFETY INFORMATION
Pictograms
Signal Word
Danger
Hazard Statements
Precautionary Statements
Hazard Classifications
Asp. Tox. 1 - Flam. Liq. 2
WGK
WGK 3
Flash Point(F)
closed cup
Flash Point(C)
closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Compare Similar Items
Show Difference
Assay: 95%
impurities: ≤3% cycloheptatriene
refractive index: n20/D 1.498 (lit.)
bp: 120-121 °C (lit.)
density: 0.868 g/mL at 25 °C (lit.)
storage temp.: 2-8°C
SMILES string: C1CC=CC=CC1
InChI: 1S/C7H10/c1-2-4-6-7-5-3-1/h1-4H,5-7H2
InChI key: GWYPDXLJACEENP-UHFFFAOYSA-N
Assay:
95%
impurities:
≤3% cycloheptatriene
refractive index:
n20/D 1.498 (lit.)
bp:
120-121 °C (lit.)
density:
0.868 g/mL at 25 °C (lit.)
storage temp.:
2-8°C
SMILES string:
C1CC=CC=CC1
InChI:
1S/C7H10/c1-2-4-6-7-5-3-1/h1-4H,5-7H2
InChI key:
GWYPDXLJACEENP-UHFFFAOYSA-N
Assay: 97%
impurities: __
refractive index: n20/D 1.533 (lit.)
bp: 173.6 °C/753 mmHg (lit.)
density: 0.94 g/mL at 25 °C (lit.)
storage temp.: __
SMILES string: C1CC1c2ccccc2
InChI: 1S/C9H10/c1-2-4-8(5-3-1)9-6-7-9/h1-5,9H,6-7H2
InChI key: VFSFCYAQBIPUSL-UHFFFAOYSA-N
Assay:
97%
impurities:
__
refractive index:
n20/D 1.533 (lit.)
bp:
173.6 °C/753 mmHg (lit.)
density:
0.94 g/mL at 25 °C (lit.)
storage temp.:
__
SMILES string:
C1CC1c2ccccc2
InChI:
1S/C9H10/c1-2-4-8(5-3-1)9-6-7-9/h1-5,9H,6-7H2
InChI key:
VFSFCYAQBIPUSL-UHFFFAOYSA-N
Assay: __
impurities: __
refractive index: __
bp: __
density: __
storage temp.: __
SMILES string: Cc1ccc(cc1)C(N)=O
InChI: 1S/C8H9NO/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H2,9,10)
InChI key: UHBGYFCCKRAEHA-UHFFFAOYSA-N
Assay:
__
impurities:
__
refractive index:
__
bp:
__
density:
__
storage temp.:
__
SMILES string:
Cc1ccc(cc1)C(N)=O
InChI:
1S/C8H9NO/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H2,9,10)
InChI key:
UHBGYFCCKRAEHA-UHFFFAOYSA-N
Assay: 98%
impurities: __
refractive index: n20/D 1.5496 (lit.)
bp: __
density: 1.027 g/mL at 25 °C (lit.)
storage temp.: __
SMILES string: CCCCc1ccc(cc1)\N=C\c2ccc(OC)cc2
InChI: 1S/C18H21NO/c1-3-4-5-15-6-10-17(11-7-15)19-14-16-8-12-18(20-2)13-9-16/h6-14H,3-5H2,1-2H3/b19-14+
InChI key: FEIWNULTQYHCDN-XMHGGMMESA-N
Assay:
98%
impurities:
__
refractive index:
n20/D 1.5496 (lit.)
bp:
__
density:
1.027 g/mL at 25 °C (lit.)
storage temp.:
__
SMILES string:
CCCCc1ccc(cc1)\N=C\c2ccc(OC)cc2
InChI:
1S/C18H21NO/c1-3-4-5-15-6-10-17(11-7-15)19-14-16-8-12-18(20-2)13-9-16/h6-14H,3-5H2,1-2H3/b19-14+
InChI key:
FEIWNULTQYHCDN-XMHGGMMESA-N