3A,4,7,7A-TETRAHYDROINDENE

Inquiry

Molecular Formula:

C9H12

Molecular Weight:

120.19

CAS Number:

3048-65-5

Catalog Number:

3048-65-5

Product Information

Molecular Formula:

C9H12

Molecular Weight:

120.19

Description

3A,4,7,7A-TETRAHYDROINDENE is a biopharmaceutical intermediate with anti-tumor and anti-inflammatory activities.

Synonyms

3a,4,7,7a-tetrahydro-1H-indene; 3a,4,7,7a-Tetrahydroindene; 3a,4,7,7a-Tetrahydro-1H-indene; 1H-Indene,3a,4,7,7a-tetrahydro-; 3048-65-5; Tetrahydroindene

IUPAC Name

3a,4,7,7a-tetrahydro-1H-indene

Canonical SMILES

C1C=CCC2C1CC=C2

InChI

InChI=1S/C9H12/c1-2-5-9-7-3-6-8(9)4-1/h1-3,6,8-9H,4-5,7H2

InChI Key

UFERIGCCDYCZLN-UHFFFAOYSA-N

Boiling Point

169.1°C at 760mmHg

Flash Point

38 °C

Purity

95%

Density

0,93

Appearance

Colorless to Light yellow to Light orange clear liquid

Refractive Index

1.50

Safety Information

Hazards

H226:
Flammable liquid and vapour.

Precautionary Statement

P210:
Keep away from heat, sparks, open flames, hot surfaces. No smoking.
P233:
Keep container tightly closed.
P303+P361+P353:
IF ON SKIN (or hair):
Take off immediately all contaminated clothing. [As modified by IV ATP].
Rinse skin with water/shower.
P370+P378:
In case of fire:
Use for extinction:
P403+P235:
Store in a well ventilated place.
Keep cool.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.

Computed Properties

XLogP3

2.6

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

120.093900383 g/mol

Monoisotopic Mass

120.093900383 g/mol

Topological Polar Surface Area

0Å²

Heavy Atom Count

Formal Charge

Complexity

153

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

Publication Number	Title	Priority Date
JP-2022029460-A	Release film for molding solid polymer fuel cell components	2021-11-08
US-2022002216-A1	Method for Preparing Aromatic Hydrocarbons by Hydrocracking Polymer Containing Aromatic Ring	2021-08-16
CN-113372300-A	Continuous flow synthesis process of cyclohexene-based epoxide and cyclohexene-based epoxide	2021-06-07
CN-113087845-A	Preparation method of long-chain olefin modified C9 petroleum resin	2021-03-26
CN-112920680-A	Preparation method of photosensitive resin composition and preparation method of photocuring coating	2021-01-29
CN-112940583-A	Photosensitive resin composition for photocuring coating and photocuring coating prepared from same	2021-01-29
CN-112898102-A	Oxygen-containing nontoxic high-energy cloud blasting agent	2021-01-21
CN-112898926-A	Epoxy resin glue solution and preparation method and application thereof	2021-01-21
CN-112679948-A	Flame-retardant reinforced semi-aromatic polyamide molding composition with specific glass fiber length and molded product	2020-12-25
CN-112708269-A	Halogen-free flame-retardant reinforced semi-aromatic polyamide molding composition with specific glass fiber length and molded product	2020-12-25

Literatures

PMID	Publication Date	Title	Journal
16538042	2006-02-01	Semi-quantitative immunohistochemical analysis of male rat-specific alpha2u-globulin accumulation for chemical toxicity evaluation	The Journal of toxicological sciences

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Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

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