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Cyclohexane,(bromomethyl)- (2550-36-9)

Identification
Name:Cyclohexane,(bromomethyl)-
Synonyms:(Bromomethyl)cyclohexane;1-(Bromomethyl)cyclohexane;Bromocyclohexylmethane;
CAS:2550-36-9
Molecular Formula: C7H13Br
Molecular Weight: 177.08
InChI: InChI=1/C7H13Br/c8-6-7-4-2-1-3-5-7/h7H,1-6H2
Molecular Structure: (C7H13Br) (Bromomethyl)cyclohexane;1-(Bromomethyl)cyclohexane;Bromocyclohexylmethane;
Properties
Transport:UN 1993
Density:1.269
Refractive index:1.491-1.493
Appearance:colorless or light yellow liquid
Specification:

The IUPAC name of Cyclohexane, (bromomethyl)- is bromomethylcyclohexane . With the CAS registry number 2550-36-9, it is also named as (Bromomethyl)cyclohexane ; Bromocyclohexylmethane ; 1-bromo-4-methyl cyclohexane ; Cyclohexylmethyl bromide . It belongs to cycloalkanes.

The Cyclohexane, (bromomethyl)- is light yellow liquid. It can be obtained by cyclohexylmethanol . This product is a organic reagent which used as pharmaceutical intermediates. It also can be used to prepare other chemicals. Such as: 1. It can react with benzenethiol to get cyclohexylmethyl-phenyl sulfide .

2. It also reacts with 3,4-dihydrospiro(naphthalene-1(2H),4'-piperidine) to obtain 1'-cyclohexylmethyl-3,4-dihydrospiro(naphthalene-1(2H),4'-piperidine .

The Cyclohexane, (bromomethyl)- is irritating to eyes, respiratory system and skin. So people should not breathe vapour and must avoid contact with skin and eyes. 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 gloves and eye/face protection.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.74 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): 3.74 ; (4)ACD/LogD (pH 7.4): 3.74 ; (5)ACD/BCF (pH 5.5): 408.93 ; (6)ACD/BCF (pH 7.4): 408.93 ; (7)ACD/KOC (pH 5.5): 2576.44 ; (8)ACD/KOC (pH 7.4): 2576.44 ; (9)#Freely Rotating Bonds: 1 ; (10)Index of Refraction: 1.481 ; (11)Molar Refractivity: 40.09 cm3 ; (12)Molar Volume: 140.7 cm3 ; (13)Polarizability: 15.89×10-24 cm3 ; (14)Surface Tension: 32.8 dyne/cm ; (15)Enthalpy of Vaporization: 39.5 kJ/mol ; (16)Vapour Pressure: 1.53 mmHg at 25°C ; (17)Rotatable Bond Count: 1 ; (18)Exact Mass: 176.020063 ; (19)MonoIsotopic Mass: 176.020063 ; (20)Heavy Atom Count: 8.

People can use the following data to convert to the molecule structure. SMILES: BrCC1CCCCC1; InChI: InChI=1/C7H13Br/c8-6-7-4-2-1-3-5-7/h7H,1-6H2; InChIKey: UUWSLBWDFJMSFP-UHFFFAOYAK. Cyclohexane, (bromomethyl)- has many suppliers, such as Allchemy Co., Ltd., G.H. Chem, Inc., Jiangning Xinzhuang Fine Chemical Plant, Nanjing Shengye Chemical Plant and OrgSynChem (Beijing) Technology Co., Ltd..

Packinggroup: III
HS Code: 29035990
Safety Data
Hazard Symbols Xi:Irritant