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99817-36-4

Basic Information
CAS No.: 99817-36-4
Name: 2,4-Dichloro-3-ethyl-6-nitrophenol
Article Data: 2
Molecular Structure:
Molecular Structure of 99817-36-4 (2,4-Dichloro-3-ethyl-6-nitrophenol)
Formula: C8H7Cl2NO3
Molecular Weight: 236.054
Synonyms: 2-Nitro-4,6-dichloro-5-ethylphenol;5-Ethyl-4,6-dichloro-2-nitrophenol;Phenol,2,4-dichloro-3-ethyl-6-nitro-;
EINECS: 420-740-1
Density: 1.509 g/cm3
Melting Point: 49-51 °C
Boiling Point: 291 °C at 760 mmHg
Flash Point: 129.8 °C
Hazard Symbols: ToxicT,DangerousN,IrritantXi
Risk Codes: 20/21-36/37/38-65-50/53-43-41-25
Safety: 26-36/37/39-61-60-45
Transport Information: UN2811
PSA: 66.05000
LogP: 3.69280
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Chemistry

IUPAC Name: 2,4-Dichloro-3-ethyl-6-nitrophenol
Synonyms of 2,4-Dichloro-3-ethyl-6-nitrophenol (CAS NO.99817-36-4): Phenol,2,4-dichloro-3-ethyl-6-nitro- ; 2-Nitro-4,6-dichloro-5-ethylphenol ; Phenol,2,4-dichloro-3-ethyl-6-nitro-
CAS NO: 99817-36-4
Molecular Formula: C8H7Cl2NO3
Molecular Weight: 236.05
Molecular Structure:
H bond acceptors: 4
H bond donors: 1
Freely Rotating Bonds: 3
Polar Surface Area: 55.05 Å2
Index of Refraction: 1.607
Molar Refractivity: 54.01 cm3
Molar Volume: 156.4 cm3
Surface Tension: 55 dyne/cm
Density: 1.509 g/cm3
Flash Point: 129.8 °C
Enthalpy of Vaporization: 55.17 kJ/mol
Boiling Point: 291 °C at 760 mmHg
Vapour Pressure: 0.00115 mmHg at 25°C 
Product Categories of 2,4-Dichloro-3-ethyl-6-nitrophenol (CAS NO.99817-36-4): Phenoles and thiophenoles 
SMILES: Clc1c(c(Cl)cc([N+]([O-])=O)c1O)CC
InChI: InChI=1/C8H7Cl2NO3/c1-2-4-5(9)3-6(11(13)14)8(12)7(4)10/h3,12H,2H2,1H3
InChIKey: YTVCECQSAPGJBB-UHFFFAOYAT
Std. InChI: InChI=1S/C8H7Cl2NO3/c1-2-4-5(9)3-6(11(13)14)8(12)7(4)10/h3,12H,2H2,1H3
Std. InChIKey: YTVCECQSAPGJBB-UHFFFAOYSA-N

Safety Profile

Safety Information about 2,4-Dichloro-3-ethyl-6-nitrophenol (CAS NO.99817-36-4):
Hazard Codes: ToxicT,DangerousN,IrritantXi
Risk Statements: 20/21-36/37/38-65-50/53-43-41-25 
R20/21: Harmful by inhalation and in contact with skin. 
R36/37/38: Irritating to eyes, respiratory system and skin. 
R50/53: Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. 
R25: Toxic if swallowed. 
R41: Risk of serious damage to the eyes. 
R43: May cause sensitization by skin contact. 
R65: Harmful: may cause lung damage if swallowed.
Safety Statements: 26-36/37/39-61-60-45
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. 
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) 
S60: This material and its container must be disposed of as hazardous waste. 
S61: Avoid release to the environment. Refer to special instructions / safety data sheets.
RIDADR: UN2811
HazardClass: 6.1
PackingGroup: III