-
Name
ETHYL 4-NITROBENZOATE
- EINECS 202-786-2
- CAS No. 100-12-9
- Article Data117
- CAS DataBase
- Density 1.127 g/cm3
- Solubility
- Melting Point 55-59 °C(lit.)
- Formula C8H9NO2
- Boiling Point 246.2 °C at 760 mmHg
- Molecular Weight 151.165
- Flash Point 107.7 °C
- Transport Information
- Appearance clear yellow liquid
- Safety 22-36
- Risk Codes 36/37/38
-
Molecular Structure
-
Hazard Symbols
T; 
Xi
- Synonyms 1-Ethyl-4-nitrobenzene;4-Ethyl-1-nitrobenzene;4-Ethylnitrobenzene;4-Nitro-1-ethylbenzene;NSC 858;p-Ethylnitrobenzene;p-Nitroethylbenzene;p-Nitrophenylethane;
- PSA 45.82000
- LogP 2.68040
Ethyl 4-nitrobenzoate Specification
The Benzene,1-ethyl-4-nitro-, with the CAS registry number 100-12-9 and EINECS registry number 202-786-2, has the systematic name and IUPAC name of 1-ethyl-4-nitro-benzene. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C8H9NO2.
The characteristics of Benzene,1-ethyl-4-nitro- are as followings: (1)ACD/LogP: 2.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.94; (4)ACD/LogD (pH 7.4): 2.94 ; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 45.82 Å2; (9)Index of Refraction: 1.544; (10)Molar Refractivity: 42.34 cm3; (11)Molar Volume: 134 cm3; (12)Polarizability: 16.78×10-24cm3; (13)Surface Tension: 41 dyne/cm; (14)Density: 1.127 g/cm3; (15)Flash Point: 107.7 °C; (16)Enthalpy of Vaporization: 46.38 kJ/mol; (17)Boiling Point: 246.2 °C at 760 mmHg; (18)Vapour Pressure: 0.0431 mmHg at 25°C.
Uses of Benzene,1-ethyl-4-nitro-: It can be used to produce 1-(1-bromo-ethyl)-4-nitro-benzene. This reaction will need reagent NaBrO3 and NaHSO3, and the menstruum ethyl acetate and H2O. The reaction time is 7 hours with temperature of 20°C, and the yield is about 85%.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and do not breathe dust.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CCc1ccc(cc1)[N+]([O-])=O
(2)InChI: InChI=1/C8H9NO2/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6H,2H2,1H3
(3)InChIKey: RESTWAHJFMZUIZ-UHFFFAOYAS
Related Products
- Ethyl (13-cis)-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoate
- ethyl (1R,2R)-1-phenyl-2-(trideuteriomethylamino)cyclohex-3-ene-1-carboxylate,hydrochloride
- Ethyl (1S,2R)-2-(dimethylamino)-1-phenylcyclohex-3-ene-1-carboxylate hydrochloride
- Ethyl (2,4,6-trimethylbenzoyl) phenylphosphinate
- Ethyl (2-amino-4-hydroxy-6-methyl-5-pyrimidinyl)acetate
- Ethyl (2-bromopropionamido)acetate
- Ethyl (2-cyanoimino-5,6-dichloro-1,2,3,4-tetrahydroquinazolin-3-yl)acetate
- ETHYL (2E,4Z)-DECADIENOATE
- Ethyl (2-hydroxyethyl)dimethyl-ammonium benzilate chloride
- Ethyl (2-mercaptoethyl) carbamate S-ester with O,O-dimethyl phosphorodithioate
- 100129-35-9
- 100-13-0
- 100130-05-0
- 100133-14-0
- 1001341-27-0
- 100134-82-5
- 1001350-96-4
- 1001353-87-2
- 100139-54-6
- 1001409-50-2
Hot Products
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