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4-(Boc-amino)benzoic acid

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Name

4-(Boc-amino)benzoic acid

EINECS -0
CAS No. 66493-39-8 Density 1.242 g/cm3
PSA 75.63000 LogP 2.80480
Solubility 1mmol in 2mL DMF Melting Point ~200 °C (dec.)
Formula C12H15 N O4 Boiling Point 336.2 °C at 760 mmHg
Molecular Weight 237.255 Flash Point 157.1 °C
Transport Information N/A Appearance white - off-white powder
Safety 22-24/25 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 66493-39-8 (BOC-4-ABZ-OH) Hazard Symbols R36/37/38:Irritating to eyes, respiratory system and skin.;
Synonyms

4-(N-tert-Butoxycarbonyl)aminobenzoicacid; 4-(tert-Butoxycarbonylamino)benzoic acid; p-(tert-Butoxycarbonylamino)benzoicacid

Article Data 72

4-(Boc-amino)benzoic acid Chemical Properties

Molecular Formula: C12H15NO4
Molar mass: 237.2518 g/mol
Density: 1.242 g/cm3
Flash Point: 157.1 °C
Index of Refraction: 1.574
Boiling Point: 336.2 °C at 760 mmHg
Vapour Pressure: 4.48E-05 mmHg at 25°C
Melting point: ~200 °C (dec.)
Storage temp: 2-8°C
Structure of Boc-4-abz-oh (66493-39-8):
                                
Product categories of Amino-naphthalen-1-yl-acetic acid (97611-60-4): Benzene series;Amino Acids
XLogP3-AA: 2.7  
H-Bond Donor: 2
H-Bond Acceptor: 4
SMILES: O=C(OC(C)(C)C)Nc1ccc(cc1)C(=O)O 
InChI: InChI=1/C12H15NO4/c1-12(2,3)17-11(16)13-9-6-4-8(5-7-9)10(14)15/h4-7H,1-3H3,(H,13,16)(H,14,15) 
InChIKey: ZJDBQMWMDZEONW-UHFFFAOYAA 
Std. InChI: InChI=1S/C12H15NO4/c1-12(2,3)17-11(16)13-9-6-4-8(5-7-9)10(14)15/h4-7H,1-3H3,(H,13,16)(H,14,15) 
Std. InChIKey: ZJDBQMWMDZEONW-UHFFFAOYSA-N

4-(Boc-amino)benzoic acid Safety Profile

Risk Statements:
36:  Irritating to the eyes
37:  Irritating to the respiratory system
38:  Irritating to the skin
Safety Statements:
22:  Do not breathe dust
24:  Avoid contact with skin
25:  Avoid contact with eyes

4-(Boc-amino)benzoic acid Specification

 Boc-4-abz-oh (66493-39-8) is amino acids which also can be called for Benzoic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-  ; 4-[(Tert-butoxycarbonyl)amino]benzoic acid ; N-boc-4-aminobenzoic acid ; N-tert-butoxycarbonyl-4-aminobenzoic acid ; 4-(Boc-amino)benzoic acid ; 4-Tert-butoxycarbonylamino-benzoic acid .

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