Basic information
- Name:
Benzene,(2-chloro-1,1-dimethylethyl)-
- Superlist Name:
- 1-Chloro-2-methyl-2-phenylpropane
- CAS No.:
515-40-2
- Molecular Structure:
- Formula:
- C10H13Cl
- Molecular Weight:
- 168.66
- Synonyms:
- (1,1-Dimethyl-2-chloroethyl)benzene;(b-Chloro-tert-butyl)benzene;(b-Chloro-a,a-dimethyl)ethylbenzene;2-Methyl-2-phenylpropyl chloride;NSC 54159;NSC 923;Neophyl chloride;b,b-Dimethylphenethyl chloride;
- EINECS:
- 208-197-7
- Density:
- 1.006 g/cm3
- Boiling Point:
- 222.8 °C at 760 mmHg
- Flash Point:
- 92.2 °C
- Solubility:
- insoluble in water
- Appearance:
- clear colorless to slighlty yellow liquid
- Hazard Symbols:
Xi- Risk Codes:
- 36/37/38
- Safety Description:
- 26-36 Details
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Specification
The Benzene,(2-chloro-1,1-dimethylethyl)-, has the systematic name of (1-chloro-2-methylpropan-2-yl)benzene. This chemical is a kind of clear colorless to slighlty yellow liquid. And the chemical formula of this chemical is C10H13Cl. What's more, its EINECS is 208-197-7.
Physical properties of Benzene,(2-chloro-1,1-dimethylethyl)-: (1)ACD/LogP: 3.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.57; (4)ACD/LogD (pH 7.4): 3.57; (5)ACD/BCF (pH 5.5): 304.76; (6)ACD/BCF (pH 7.4): 304.76; (7)ACD/KOC (pH 5.5): 2087.49; (8)ACD/KOC (pH 7.4): 2087.49; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.502; (14)Molar Refractivity: 49.48 cm3; (15)Molar Volume: 167.5 cm3; (16)Polarizability: 19.61×10-24cm3; (17)Surface Tension: 30.5 dyne/cm; (18)Density: 1.006 g/cm3; (19)Flash Point: 92.2 °C; (20)Enthalpy of Vaporization: 44.06 kJ/mol; (21)Boiling Point: 222.8 °C at 760 mmHg; (22)Vapour Pressure: 0.148 mmHg at 25°C.
Uses of p-Chloropropiophenone: it can be used to produce (2-methyl-2-phenylpropyl)diphenylphosφne oξde. This reaction will need reagent Na, t-BuOH and solvents dimethylsulfoξde, liquid ammonia. The reaction time is 240 min. The yield is about 61%.
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When you are using this chemical, please be cautious about it as the following:
The Benzene,(2-chloro-1,1-dimethylethyl)- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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: ClCC(c1ccccc1)(C)C
(2)InChI: InChI=1/C10H13Cl/c1-10(2,8-11)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
(3)InChIKey: DNXXUUPUQXSUFH-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C10H13Cl/c1-10(2,8-11)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
(5)Std. InChIKey: DNXXUUPUQXSUFH-UHFFFAOYSA-N
