ChemicalBook > CAS DataBase List > 7-NITRO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE

7-NITRO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE

Product Name: 7-NITRO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE
CAS No.: 42923-79-5
Chemical Name: 7-NITRO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE
Synonyms: N90100;1,2,3,4-tetrahydro-7-nitroisoquinoline;7-NITRO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE;Isoquinoline, 1,2,3,4-tetrahydro-7-nitro-;1,2,3,4-Tetrahydro-7-nitroisoquinoline 98%;7-Nitro-1,2,3,4-tetrahydro-isoquinoline ,97%
CBNumber: CB3377730
Molecular Formula: C9H10N2O2
Formula Weight: 178.19
MOL File: 42923-79-5.mol

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7-NITRO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE Property

Boiling point:: 319.6±42.0 °C(Predicted)
Density: 1.236±0.06 g/cm3(Predicted)
storage temp.: 2-8°C(protect from light)
pka: 8.49±0.20(Predicted)
Appearance: Off-white to light yellow Solid
InChI: InChI=1S/C9H10N2O2/c12-11(13)9-2-1-7-3-4-10-6-8(7)5-9/h1-2,5,10H,3-4,6H2
InChIKey: YPRWYZSUBZXORL-UHFFFAOYSA-N
SMILES: C1C2=C(C=CC([N+]([O-])=O)=C2)CCN1

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Safety

HS Code: 2933499090

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Danger

Hazard statements

H225Highly Flammable liquid and vapour

H290May be corrosive to metals

H314Causes severe skin burns and eye damage

Precautionary statements

P210Keep away from heat/sparks/open flames/hot surfaces. — No smoking.

P233Keep container tightly closed.

P234Keep only in original container.

P240Ground/bond container and receiving equipment.

P241Use explosion-proof electrical/ventilating/lighting/…/equipment.

P242Use only non-sparking tools.

P243Take precautionary measures against static discharge.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P301+P330+P331IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.

P303+P361+P353IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.

P363Wash contaminated clothing before reuse.

P370+P378In case of fire: Use … for extinction.

P390Absorb spillage to prevent material damage.

P403+P235Store in a well-ventilated place. Keep cool.

P405Store locked up.

P406Store in corrosive resistant/… container with a resistant inner liner.

P501Dispose of contents/container to..…

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N-Bromosuccinimide Price

TRC

Product number: N900675
Product name: 7-Nitro-1,2,3,4-tetrahydroisoquinoline
Packaging: 100mg
Price: $60
Updated: 2021/12/16

AK Scientific

Product number: W6247
Product name: 7-Nitro-1,2,3,4-tetrahydro-isoquinoline
Packaging: 1g
Price: $104
Updated: 2021/12/16

Apolloscientific

Product number: OR300086
Product name: 1,2,3,4-Tetrahydro-7-nitroisoquinoline
Purity: 98%
Packaging: 1g
Price: $145
Updated: 2021/12/16

ChemScene

Product number: CS-D0150
Product name: 7-Nitro-1,2,3,4-tetrahydroisoquinoline
Packaging: 5g
Price: $158
Updated: 2021/12/16

ChemScene

Product number: CS-D0150
Product name: 7-Nitro-1,2,3,4-tetrahydroisoquinoline
Packaging: 10g
Price: $271
Updated: 2021/12/16

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7-NITRO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE Chemical Properties,Usage,Production

Synthesis

91-21-4

42923-79-5

In a mortar, 2 g of P2O5/silica gel (65% w/w) was mixed with 1,2,3,4-tetrahydroisoquinoline (10 mmol, 1.33 g) and milled for 30 s. Subsequently, 5 ml of 65% HNO3 was added slowly dropwise, and milling was continued for 20 min at room temperature until the mixture took on a deep yellow color. The progress of the reaction was monitored by TLC (n-hexane:EtOAc 70:30) to confirm the complete disappearance of 1,2,3,4-tetrahydroisoquinoline (about 30 min). After completion of the reaction, ether (50 ml) was added to the mixture and the solids were separated by filtration through a short silica gel pad and washed with ether (2 x 15 ml). The combined organic phases were washed with 10% NaHCO3 solution (20 ml) and subsequently dried with MgSO4. The solvent was removed by concentration under reduced pressure and the residue was purified by column chromatography (n-hexane:EtOAc, 2:1) to afford 7-nitro-1,2,3,4-tetrahydroisoquinoline (2b) (8 mmol, 1.4 g, 80% yield) as a yellow solid with a melting point of 121 °C. 1H NMR (δ): 8.05 (m, 2H), 7.60 (m, 1H), 3.82 (s, 2H), 3.38 (t, 2H, J = 7.4 Hz), 3.12 (t, 2H, J = 7.4 Hz), 2.83 (s, 1H).13C NMR (δ): 150.6, 145.0, 140.3, 129.6, 122.6, 121.4, 46.9, 44.1, 28.1.High-resolution mass spectra (EMS) [M+H]+ C9H10N2O2, calculated value 179.0740, measured value 179.1121.

References

[1] Bioorganic and Medicinal Chemistry, 2011, vol. 19, # 24, p. 7435 - 7440
[2] Journal of Heterocyclic Chemistry, 1985, vol. 22, p. 329 - 331
[3] Journal of Medicinal Chemistry, 2003, vol. 46, # 5, p. 831 - 837
[4] Patent: WO2004/60902, 2004, A2. Location in patent: Page/Page column 15
[5] Patent: US9138427, 2015, B2. Location in patent: Page/Page column 307

7-NITRO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE Preparation Products And Raw materials

Raw materials

Preparation Products

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View Lastest Price from 7-NITRO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE manufacturers

Career Henan Chemical Co

Product: 7-NITRO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE 42923-79-5
Price: US $8.00/kg
Min. Order: 1kg
Purity: 99%
Supply Ability: 10tons
Release date: 2018-12-24

42923-79-5, 7-NITRO-1,2,3,4-TETRAHYDRO-ISOQUINOLINERelated Search:

7-NITRO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE

N90100

7-Nitro-1,2,3,4-tetrahydro-isoquinoline ,97%

1,2,3,4-tetrahydro-7-nitroisoquinoline

1,2,3,4-Tetrahydro-7-nitroisoquinoline 98%

Isoquinoline, 1,2,3,4-tetrahydro-7-nitro-

42923-79-5