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Cyclohexylmethyl bromide

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Name

Cyclohexylmethyl bromide

EINECS N/A
CAS No. 2550-36-9 Density 1.269 g/cm3
PSA 0.00000 LogP 2.96160
Solubility Insoluble in water. Melting Point N/A
Formula C7H13Br Boiling Point 175.6 °C at 760 mmHg
Molecular Weight 177.084 Flash Point 57.2 °C
Transport Information UN 1993 3/PG 3 Appearance Light yellow liquid
Safety 23-24/25-37/39-26 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 2550-36-9 (Cyclohexylmethyl bromide) Hazard Symbols IrritantXi
Synonyms

(Bromomethyl)cyclohexane;1-(Bromomethyl)cyclohexane;Bromocyclohexylmethane;

Article Data 19

Cyclohexylmethyl bromide 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..

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