3',4'-Dimethylacetanilide supplier

Name
3',4'-DIMETHYLACETANILIDE
EINECS 218-597-3
CAS No. 2198-54-1
Article Data49
CAS DataBase
Density 1.052g/cm³
Solubility
Melting Point 96-98°C
Formula C₁₀H₁₃NO
Boiling Point 314.5 °C at 760 mmHg
Molecular Weight 163.219
Flash Point 183.6 °C
Transport Information
Appearance
Safety 22-36/37
Risk Codes 22
Molecular Structure
Hazard Symbols R22:Harmful if swallowed.;
Synonyms 3',4'-Acetoxylidide(6CI,7CI,8CI);3',4'-Dimethylacetanilide;N-(3,4-Dimethylphenyl)acetamide;NSC25232;
PSA 29.10000
LogP 2.33480

3',4'-Dimethylacetanilide Specification

The 3',4'-Acetoxylidide, with CAS registry number 2198-54-1, has the systematic name of N-(3,4-dimethylphenyl)acetamide. And its IUPAC name is the same one. Its classification code is Tumor data. This chemical is harmful if swallowed. When use it, do not breathe dust and wear suitable protective clothing and gloves.

Physical properties of 3',4'-Acetoxylidide: (1)ACD/LogP: 2.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 19.59; (6)ACD/BCF (pH 7.4): 19.59; (7)ACD/KOC (pH 5.5): 292.69; (8)ACD/KOC (pH 7.4): 292.71; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.31 Å²; (13)Index of Refraction: 1.56; (14)Molar Refractivity: 50.17 cm³; (15)Molar Volume: 155 cm³; (16)Polarizability: 19.89×10^-24cm³; (17)Surface Tension: 38.5 dyne/cm; (18)Enthalpy of Vaporization: 55.56 kJ/mol; (19)Vapour Pressure: 0.000465 mmHg at 25°C.

Uses of 3',4'-Acetoxylidide: it can be used to produce acetic acid-(2-bromo-4,5-dimethyl-anilide). This reaction will need reagents acetic acid, bromine.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1cc(c(cc1)C)C)C
(2)InChI: InChI=1/C10H13NO/c1-7-4-5-10(6-8(7)2)11-9(3)12/h4-6H,1-3H3,(H,11,12)
(3)InChIKey: UAOIEEWQVAXCFY-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C10H13NO/c1-7-4-5-10(6-8(7)2)11-9(3)12/h4-6H,1-3H3,(H,11,12)
(5)Std. InChIKey: UAOIEEWQVAXCFY-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	1030mg/kg (1030mg/kg)		Toxicology and Applied Pharmacology. Vol. 19, Pg. 20, 1971.

Product Name

3',4'-DIMETHYLACETANILIDE

3',4'-Dimethylacetanilide Specification

Related Products

Hot Products