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Cas Database

Name	DL-4-Chlorophenylglycine	EINECS	612-944-6
CAS No.	6212-33-5	Density	1.392 g/cm³
PSA	63.32000	LogP	2.12470
Solubility	N/A	Melting Point	220-230 °C
Formula	C₈H₈ClNO₂	Boiling Point	328.8 °C at 760 mmHg
Molecular Weight	185.61	Flash Point	152.7 °C
Transport Information	N/A	Appearance	white to light yellow crystal powder
Safety	26-36	Risk Codes	22-36/37/38
Molecular Structure		Hazard Symbols	Xn
Synonyms	Glycine,2-(p-chlorophenyl)- (7CI,8CI);2-(4-Chlorophenyl)glycine;2-Amino-2-(4-chlorophenyl)acetic acid;DL-2-(p-Chlorophenyl)glycine;	Article Data	23

DL-4-Chlorophenylglycine Synthetic route

: 7099-88-9
4-chlorophenylglyoxylic acid

: 6212-33-5
2-(4-Chlorophenyl)glycine

Conditions

Conditions	Yield
With 4-methoxy-N-(1-(naphthalen-2-yl)ethylidene)aniline; ammonium formate In methanol at 80℃; for 12h; Inert atmosphere; chemoselective reaction;	91%
With (S)-2-amino-(2-chlorophenyl)ethanoic acid In water; acetonitrile at 50℃; for 36h; Reflux; Inert atmosphere;	61%

: 1353886-52-8
2-(4-chlorophenyl)-2-(hydroxyimino)acetic acid

: 6212-33-5
2-(4-Chlorophenyl)glycine

Conditions

Conditions	Yield
With sodium tetrahydroborate; nickel; sodium hydroxide In methanol; water at 20 - 30℃;	90%
Stage #1: 2-(4-chlorophenyl)-2-(hydroxyimino)acetic acid In methanol at 20℃; Stage #2: With sodium tetrahydroborate; sodium hydroxide In methanol; water at 50 - 64℃;

: 6212-32-4
5-(p-chlorophenyl)hydantoin

: 6212-33-5
2-(4-Chlorophenyl)glycine

Conditions

Conditions	Yield
With sodium hydroxide for 24h; Heating;	70.3%
With sodium hydroxide
With sodium hydroxide
With potassium carbonate In water at 178℃; under 18751.9 Torr; for 0.0666667h;

: potassium cyanide

: 104-88-1
4-chlorobenzaldehyde

: 6212-33-5
2-(4-Chlorophenyl)glycine

Conditions

Conditions	Yield
Stage #1: potassium cyanide; 4-chlorobenzaldehyde With water; ammonium chloride In methanol at 20℃; for 2h; Stage #2: With hydrogenchloride In water; toluene for 24h; Reflux;	34%

: 39533-35-2
α-Isocyano-p-chlorphenylessigsaeureaethylester

: 6212-33-5
2-(4-Chlorophenyl)glycine

Conditions

Conditions	Yield
(i) aq. HCl, MeOH, (ii) NaOH; Multistep reaction;

: 140-53-4
p-chlorobenzyl cyanide

: 6212-33-5
2-(4-Chlorophenyl)glycine

Conditions

Conditions	Yield
Multistep reaction;

: (4-Chloro-phenyl)-(2,2,2-trifluoro-acetylamino)-acetic acid methyl ester

: 6212-33-5
2-(4-Chlorophenyl)glycine

Conditions

Conditions	Yield
With potassium hydroxide In methanol for 2h; Ambient temperature; Yield given;

: 43189-37-3
(R)-2-amino-2-(4-chlorophenyl)acetic acid

: 6212-33-5
2-(4-Chlorophenyl)glycine

Conditions

Conditions	Yield
With sodium dihydrogenphosphate; tritium oxide at 80.2 - 110.3℃; Thermodynamic data; Rate constant; pH 10.0; Ea, ΔH(excit.), ΔS(excit.);

(+-)-4-<4-chloro-phenyl>-imidazolidinedione-(2.5): (+-)-4-<4-chloro-phenyl>-imidazolidinedione-(2.5)

: 6212-33-5
2-(4-Chlorophenyl)glycine

Conditions

Conditions	Yield
With barium dihydroxide

: 104-88-1
4-chlorobenzaldehyde

linear polystyrene-supported phosphonium salt of allyl bromide: linear polystyrene-supported phosphonium salt of allyl bromide

: 6212-33-5
2-(4-Chlorophenyl)glycine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 72.5 percent / ethanol; H2O / 12 h / 60 °C 2: 70.3 percent / 10percent aq. NaOH / 24 h / Heating View Scheme

DL-4-Chlorophenylglycine Specification

The CAS register number of DL-2-(4-chlorophenyl)glycine is 6212-33-5. It also can be called as DL-2-Amino-4-chlorophenylacetic acid and the IUPAC name about this chemical is 2-amino-2-(4-chlorophenyl)acetic acid. The molecular formula about this chemical is C₈H₈ClNO₂and the molecular weight is 185.61. It belongs to the following product categories, such as Amino Acids Series; Pharmacetical; Chiral and so on. This chemical is stable under normal temperature and pressure. If you want to store this chemical, please keep it in a closed container and store it in a cool, dry place. This chemical can be used to synthesize drugs.

Physical properties about DL-2-(4-chlorophenyl)glycine are: (1)ACD/LogP: 1.54; (2)ACD/LogD (pH 5.5): -0.96; (3)ACD/LogD (pH 7.4): -0.96; (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: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 29.54Å²; (12)Index of Refraction: 1.603; (13)Molar Refractivity: 45.79 cm³; (14)Molar Volume: 133.2 cm³; (15)Polarizability: 18.15x10^-24cm^3; (16)Surface Tension: 58.9 dyne/cm; (17)Enthalpy of Vaporization: 60.3 kJ/mol; (18)Boiling Point: 328.8 °C at 760 mmHg; (19)Vapour Pressure: 7.45E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed and it is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing and do not breathe dust.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(cc1)C(N)C(=O)O
(2)InChI: InChI=1/C8H8ClNO2/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7H,10H2,(H,11,12)
(3)InChIKey: QGJGBYXRJVIYGA-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C8H8ClNO2/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7H,10H2,(H,11,12)
(5)Std. InChIKey: QGJGBYXRJVIYGA-UHFFFAOYSA-N

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