CAS No.320-37-6,4-NITRO-2-(TRIFLUOROMETHYL)BENZOIC ACID& Suppliers

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Basic Information

Molecular Structure:
CAS No.:	320-37-6
Name:	4-NITRO-2-(TRIFLUOROMETHYL)BENZOIC ACID&

Formula:	C₈H₄F₃NO₄
Molecular Weight:	235.119
Synonyms:	o-Toluicacid, a,a,a-trifluoro-4-nitro- (7CI,8CI);4-Nitro-2-trifluoromethylbenzoic acid;
Density:	1.596 g/cm³
Melting Point:	138-142 °C(lit.)
Boiling Point:	321.4 °C at 760 mmHg
Flash Point:	148.2 °C
Appearance:	white to light yellow crystal powder
Hazard Symbols:	Xn
Risk Codes:	22-36-43
Safety:	26-36
PSA:	83.12000
LogP:	2.83500

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Specification

The CAS register number of Benzoic acid,4-nitro-2-(trifluoromethyl)- is 320-37-6. The systematic name about this chemical is 4-nitro-2-(trifluoromethyl)benzoic acid. The molecular formula about this chemical is C₈H₄F₃NO₄ and the molecular weight is 235.12. It belongs to the following product categories which include Benzoic acid; C8; Carbonyl Compounds; Carboxylic Acids and so on.

Physical properties about Benzoic acid,4-nitro-2-(trifluoromethyl)- are: (1)ACD/LogP: 2.96; (2)ACD/LogD (pH 5.5): 0.14; (3)ACD/LogD (pH 7.4): -0.18; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.46; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 72.12Å²; (12)Index of Refraction: 1.518; (13)Molar Refractivity: 44.7 cm³; (14)Molar Volume: 147.3 cm³; (15)Polarizability: 17.72x10^-24cm³; (16)Surface Tension: 45.2 dyne/cm; (17)Enthalpy of Vaporization: 59.45 kJ/mol; (18)Boiling Point: 321.4 °C at 760 mmHg; (19)Vapour Pressure: 0.000124 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed.It is irritating to eyes. It may cause sensitization by skin contact. When you are using it, wear suitable protective clothing. In case of 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: FC(F)(F)c1cc(ccc1C(=O)O)[N+]([O-])=O
(2)InChI: InChI=1/C8H4F3NO4/c9-8(10,11)6-3-4(12(15)16)1-2-5(6)7(13)14/h1-3H,(H,13,14)
(3)InChIKey: BPCKZQCTLCTDST-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C8H4F3NO4/c9-8(10,11)6-3-4(12(15)16)1-2-5(6)7(13)14/h1-3H,(H,13,14)
(5)Std. InChIKey: BPCKZQCTLCTDST-UHFFFAOYSA-N