CAS No.6656-49-1,2-Methyl-3-nitrobenzotrifluoride Suppliers

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Basic Information

Molecular Structure:
CAS No.:	6656-49-1
Name:	2-Methyl-3-nitrobenzotrifluoride
Article Data:	1
Cas Database

Formula:	C₈H₆F₃NO₂
Molecular Weight:	205.136
Synonyms:	2-Nitro-6-(trifluoromethyl)toluene
EINECS:	229-688-2
Density:	1.357 g/cm³
Boiling Point:	202.8 °C at 760 mmHg
Flash Point:	76.4 °C
Appearance:	Colorless to light yellow Liquid
Hazard Symbols:	R21/22:Harmful in contact with skin and if swallowed.; R36/38:Irritating to eyes and skin.;
Risk Codes:	R20/21/22-36/37/38
Safety:	S23-26-36/37/39
PSA:	45.82000
LogP:	3.44520

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Chemistry

Product Name: 2-Methyl-3-nitrobenzotrifluoride (CAS NO.6656-49-1)

Molecular Formula: C₈H₆F₃NO₂
Molecular Weight: 205.13g/mol
Mol File: 6656-49-1.mol
EINECS: 229-688-2
Boiling point: 202.8 °C at 760 mmHg
Flash Point: 76.4 °C
Density: 1.357 g/cm³
Surface Tension: 31.4 dyne/cm
Enthalpy of Vaporization: 42.1 kJ/mol
Vapour Pressure: 0.409 mmHg at 25°C
XLogP3-AA: 3.3
H-Bond Donor: 0
H-Bond Acceptor: 5
Structure Descriptors of 2-Methyl-3-nitrobenzotrifluoride (CAS NO.6656-49-1):
IUPAC Name: 2-methyl-1-nitro-3-(trifluoromethyl)benzene
Canonical SMILES: CC1=C(C=CC=C1[N+](=O)[O-])C(F)(F)F
InChI: InChI=1S/C8H6F3NO2/c1-5-6(8(9,10)11)3-2-4-7(5)12(13)14/h2-4H,1H3
InChIKey: KQUQBPVYIURTNZ-UHFFFAOYSA-N
Product Categories: Trifluoromethylbenzene serise

Safety Profile

Safety Information of 2-Methyl-3-nitrobenzotrifluoride (CAS NO.6656-49-1):
Hazard Codes: Xi Irritant ,T Toxic
Risk Statements: 20/21/22-36/37/38-25
20: Harmful by inhalation
21: Harmful in contact with skin
22: Harmful if swallowed
25: Toxic if swallowed
36: Irritating to the eyes
37: Irritating to the respiratory system
38: Irritating to the skin
Safety Statements: 23-26-36/37/39-60-45-36/37-20-36
20: When using, do not eat or drink
23: Do not breathe
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
37: Wear suitable gloves
39: Wear eye/face protection
45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
60: This material and/or its container must be disposed of as hazardous waste

Specification

2-Methyl-3-nitrobenzotrifluoride , its CAS NO. is 6656-49-1, the synonym is alpha,alpha,alpha-Trifluoro-3-nitro-o-xylene .