CAS No.27115-50-0,4-METHYLHIPPURIC ACID Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	27115-50-0
Name:	4-METHYLHIPPURIC ACID
Article Data:	29

Formula:	C₁₀H₁₁NO₃
Molecular Weight:	193.202
Synonyms:	Hippuricacid, p-methyl- (6CI,8CI);4-Methylhippuric acid;N-(4-Methylbenzoyl)glycine;N-(p-Methylbenzoyl)glycine;NSC 126814;p-Methylhippuric acid;p-Toluric acid;
EINECS:	248-231-8
Density:	1.229 g/cm³
Melting Point:	163-165 °C(lit.)
Boiling Point:	435.8 °C at 760 mmHg
Flash Point:	217.3 °C
Appearance:	White crystalline powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	37/39-26
PSA:	66.40000
LogP:	1.20030

Total:30 Page 1 of 1 1

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Specification

The CAS register number of Glycine,N-(4-methylbenzoyl)- is 27115-50-0. It also can be called as 4-Methylhippuric acid and the IUPAC name about this chemical is 2-[(4-methylbenzoyl)amino]acetic acid. The molecular formula about this chemical is C₁₀H₁₁NO₃ and the molecular weight is 193.2.

Physical properties about Glycine,N-(4-methylbenzoyl)- are: (1)ACD/LogP: 0.77; (2)ACD/LogD (pH 5.5): -1.41; (3)ACD/LogD (pH 7.4): -2.82; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 46.61 Å²; (12)Index of Refraction: 1.56; (13)Molar Refractivity: 50.89 cm³; (14)Molar Volume: 157.1 cm³; (15)Polarizability: 20.17x10^-24cm³; (16)Surface Tension: 50.7 dyne/cm; (17)Density: 1.229 g/cm³; (18)Flash Point: 217.3 °C; (19)Enthalpy of Vaporization: 72.95 kJ/mol; (20)Boiling Point: 435.8 °C at 760 mmHg; (21)Vapour Pressure: 2.3E-08 mmHg at 25 °C.

Preparation: this chemical can be prepared by 4-dimethylaminomethylene-2-p-tolyl-4H-oxazol-5-one. This reaction will need reagent of NaOEt and solvent of ethanol. This reaction needs heating. The reaction time is 15 mins. The yield is about 84%.

Glycine,N-(4-methylbenzoyl)- can be prepared by 4-dimethylaminomethylene-2-p-tolyl-4H-oxazol-5-one.

Uses of Glycine,N-(4-methylbenzoyl)-: it can be used to produce 4-(4-methyl-benzylidene)-2-o-tolyl-4H-oxazol-5-one with 2-methyl-benzaldehyde. The yield is about 52%.

Glycine,N-(4-methylbenzoyl)- can be used to produce 4-(4-methyl-benzylidene)-2-o-tolyl-4H-oxazol-5-one with 2-methyl-benzaldehyde.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. It may cause inflammation to the skin or other mucous membranes. If you want to use it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. It is stable under normal temperature and pressure. If you want to store it, you should keep the container tightly sealed in dry, cool places and avoid contact with strong oxidizing agents.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(cc1)C)NCC(=O)O
(2)InChI: InChI=1/C10H11NO3/c1-7-2-4-8(5-3-7)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13)
(3)InChIKey: NRSCPTLHWVWLLH-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C10H11NO3/c1-7-2-4-8(5-3-7)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13)
(5)Std. InChIKey: NRSCPTLHWVWLLH-UHFFFAOYSA-N