CAS No.99474-02-9,1-BROMO-4-N-HEPTANOYLBENZENE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	99474-02-9
Name:	1-BROMO-4-N-HEPTANOYLBENZENE
Article Data:	4

Formula:	C₁₃H₁₇BrO
Molecular Weight:	269.181
Synonyms:	1-BROMO-4-N-HEPTANOYLBENZENE;1-(4-BROMOPHENYL)HEPTAN-1-ONE;4-bromophenyl n-hexyl ketone;1-Bromoheptanoylbenzene;4-BROMOHEPTANOPHENONE, 97%
Density:	1.225 g/cm³
Melting Point:	59-60 °C
Boiling Point:	337.1 °C at 760 mmHg
Flash Point:	36.4 °C
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	17.07000
LogP:	4.60220

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Specification

The 1-(4-Bromophenyl)heptan-1-one is an organic compound with the formula C₁₃H₁₇BrO. The IUPAC name of this chemical is 1-(4-bromophenyl)heptan-1-one. With the CAS registry number 99474-02-9, it is also named as 1-heptanone, 1-(4-bromophenyl)-. Besides, it should be stored in a closed cool and dry place.

Physical properties about 1-(4-Bromophenyl)heptan-1-one are: (1)ACD/LogP: 5.09; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.09; (4)ACD/LogD (pH 7.4): 5.09; (5)ACD/BCF (pH 5.5): 4324.44; (6)ACD/BCF (pH 7.4): 4324.44; (7)ACD/KOC (pH 5.5): 13937.74; (8)ACD/KOC (pH 7.4): 13937.74; (9)#H bond acceptors: 1; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 17.07 Å²; (12)Index of Refraction: 1.523; (13)Molar Refractivity: 67.13 cm³; (14)Molar Volume: 219.6 cm³; (15)Polarizability: 26.61×10^-24cm³; (16)Surface Tension: 37 dyne/cm; (17)Density: 1.225 g/cm³; (18)Flash Point: 36.4 °C; (19)Enthalpy of Vaporization: 58.03 kJ/mol; (20)Boiling Point: 337.1 °C at 760 mmHg; (21)Vapour Pressure: 0.000108 mmHg at 25°C.

Preparation of 1-(4-Bromophenyl)heptan-1-one: this chemical can be prepared by heptanoyl chloride and bromobenzene. This reaction will need catalyst AlCl₃.

1-(4-Bromophenyl)heptan-1-one can be prepared by heptanoyl chloride and bromobenzene

Uses of 1-(4-Bromophenyl)heptan-1-one: it can be used to produce1-bromo-4-heptyl-benzene. It will need reagents amalgamated zinc, aqueous HCl, toluene.

1-(4-Bromophenyl)heptan-1-one can be used to produce 1-bromo-4-heptyl-benzene

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

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(Br)cc1)CCCCCC
(2)InChI: InChI=1/C13H17BrO/c1-2-3-4-5-6-13(15)11-7-9-12(14)10-8-11/h7-10H,2-6H2,1H3
(3)InChIKey: LDVBFPQTLJKTLV-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C13H17BrO/c1-2-3-4-5-6-13(15)11-7-9-12(14)10-8-11/h7-10H,2-6H2,1H3
(5)Std. InChIKey: LDVBFPQTLJKTLV-UHFFFAOYSA-N