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1(2H)-Naphthalenone,7-bromo-3,4-dihydro- (32281-97-3)

Identification
Name:1(2H)-Naphthalenone,7-bromo-3,4-dihydro-
Synonyms:7-Bromo-1,2,3,4-Tetrahydronaphthalen-1-one;7-Bromo-3,4-dihydro-1(2H)-naphthalenone;7-Bromo-3,4-dihydro-2H-naphthalen-1-one;NSC 74917;
CAS:32281-97-3
Molecular Formula: C10H9BrO
Molecular Weight: 225.08
InChI: InChI=1/C10H9BrO/c11-8-5-4-7-2-1-3-10(12)9(7)6-8/h4-6H,1-3H2
Molecular Structure: (C10H9BrO) 7-Bromo-1,2,3,4-Tetrahydronaphthalen-1-one;7-Bromo-3,4-dihydro-1(2H)-naphthalenone;7-Bromo-3,4-dihyd...
Properties
Density:1.511 g/cm3
Refractive index:1.598
Appearance:beige solid
Specification:

The 7-Bromo-3,4-dihydro-1(2h)-naphthalenone is a kind of benzocycles with the formula C10H9BrO. The IUPAC name of this product is 7-bromo-3,4-dihydro-2H-naphthalen-1-one. With the CAS registry number 32281-97-3, it is also named as 1(2H)-Naphthalenone, 7-bromo-3,4-dihydro-; 7-Bromo-1-tetralone. Thic chemical is yellow solid which is used as pharmaceutical intermediates. It must be stored in cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.52; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)Index of Refraction: 1.598; (6)Molar Refractivity: 50.85 cm3; (7)Molar Volume: 148.9 cm3; (8)Polarizability: 20.16×10-24 cm3; (9)Surface Tension: 46.4 dyne/cm; (10)Enthalpy of Vaporization: 55.28 kJ/mol; (11)Vapour Pressure: 0.000548 mmHg at 25°C; (12)XLogP3-AA: 2.7; (13)Tautomer Count: 2; (14)Exact Mass: 223.983678; (15)MonoIsotopic Mass: 223.983678; (16)Topological Polar Surface Area: 17.1; (17)Heavy Atom Count: 12; (18)Complexity: 190.

When you are using this chemical, please be cautious about it as the following. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
1.SMILES: Brc2ccc1c(C(=O)CCC1)c2;
2.InChI: InChI=1/C10H9BrO/c11-8-5-4-7-2-1-3-10(12)9(7)6-8/h4-6H,1-3H2;
3.InChIKey: YGVDCGFUUUJCDF-UHFFFAOYAP.

Safety Data
Hazard Symbols Xi: Irritant