-
Name
3-Bromocumene
- EINECS
- CAS No. 5433-01-2
- Article Data12
- CAS DataBase
- Density 1.278 g/cm3
- Solubility Difficult to mix in water.
- Melting Point -10°C (estimate)
- Formula C9H11Br
- Boiling Point 210.6 °C at 760 mmHg
- Molecular Weight 199.09
- Flash Point 81.8 °C
- Transport Information
- Appearance
- Safety 24/25
- Risk Codes 22-50/53-51/53-36/38
-
Molecular Structure
-
Hazard Symbols
Xi
- Synonyms Cumene,m-bromo- (6CI,7CI,8CI);1-Bromo-3-(1-methylethyl)benzene;1-Bromo-3-isopropylbenzene;3-Bromo-1-isopropylbenzene;3-Bromocumene;3-Isopropylbromobenzene;3-Isopropylphenyl bromide;NSC 29089;m-Bromocumene;m-Isopropylbromobenzene;
- PSA 0.00000
- LogP 3.57250
3-Bromocumene Specification
The CAS register number of 3-Bromocumene is 5433-01-2. It also can be called as Benzene,1-bromo-3-(1-methylethyl)- and the IUPAC name about this chemical is 1-bromo-3-propan-2-ylbenzene. The molecular formula about this chemical is C9H11Br and molecular weight is 199.09. When you are using it, please avoid contact with skin.
Physical properties about 3-Bromocumene are: (1)ACD/LogP: 4.33; (2)ACD/LogD (pH 5.5): 4.33; (3)ACD/LogD (pH 7.4): 4.33; (4)ACD/BCF (pH 5.5): 1147.9; (5)ACD/BCF (pH 7.4): 1147.9; (6)ACD/KOC (pH 5.5): 5393.58; (7)ACD/KOC (pH 7.4): 5393.58; (8)#Freely Rotating Bonds: 1; (9)Index of Refraction: 1.53; (10)Molar Refractivity: 48.12 cm3; (11)Molar Volume: 155.6 cm3; (12)Polarizability: 19.07x10-24cm3; (13)Surface Tension: 32.8 dyne/cm; (14)Enthalpy of Vaporization: 42.86 kJ/mol; (15)Boiling Point: 210.6 °C at 760 mmHg; (16)Vapour Pressure: 0.277 mmHg at 25°C.
Preparation: this chemical can be prepared by 3-bromo-benzaldehyde and Dimethyl-titan-dichlorid. This reaction will need reagent CH2Cl2. The reaction time is 3 hour(s) with reaction temperature of -30 ℃. The yield is about 98%.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(ccc1)C(C)C
(2)InChI: InChI=1/C9H11Br/c1-7(2)8-4-3-5-9(10)6-8/h3-7H,1-2H3
(3)InChIKey: GBSGGFCCQZUXNB-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C9H11Br/c1-7(2)8-4-3-5-9(10)6-8/h3-7H,1-2H3
(5)Std. InChIKey: GBSGGFCCQZUXNB-UHFFFAOYSA-N
About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia
Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog
©2008 LookChem.com,License: ICP
NO.:Zhejiang16009103
complaints:service@lookchem.com Desktop View