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4-Benzyloxyaniline hydrochloride

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Name

4-Benzyloxyaniline hydrochloride

EINECS 257-170-6
CAS No. 51388-20-6 Density 1.129 g/cm3
PSA 35.25000 LogP 4.23100
Solubility N/A Melting Point 228 °C (dec.)(lit.)
Formula C13H13NO.HCl Boiling Point 357.7 °C at 760 mmHg
Molecular Weight 235.713 Flash Point 180.4 °C
Transport Information N/A Appearance brownish crystalline powder
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 51388-20-6 (4-Benzyloxyaniline hydrochloride) Hazard Symbols IrritantXi
Synonyms

Benzenamine,4-(phenylmethoxy)-, hydrochloride (9CI);4-(Phenylmethoxy)aniline hydrochloride;4-Benzyloxyaniline hydrochloric acid salt;4-Benzyloxyphenylamine hydrochloride;4-[(Phenylmethyl)oxy]anilinehydrochloride;p-(Benzyloxy)aniline hydrochloride;4-(Benzyloxy)aniline hydrochloride;

Article Data 5

4-Benzyloxyaniline hydrochloride Specification

The 4-Benzyloxyaniline hydrochloride, with the CAS registry number 51388-20-6, is also known as 4-(Phenylmethoxy)aniline hydrochloride. It belongs to the product categories of Anilines, Aromatic Amines and Nitro Compounds; Amine Salts; Building Blocks; Chemical Synthesis; Nitrogen Compounds; Organic Building Blocks. Its EINECS number is 257-170-6. This chemical's molecular formula is C13H13NO.HCl and molecular weight is 235.71. What's more, its systematic name is 4-(Benzyloxy)aniline hydrochloride (1:1). This chemical should be sealed and stored in a cool and dry place. It is mainly used as organic synthesis and pharmaceutical intermediate.

Physical properties of 4-Benzyloxyaniline hydrochloride are: (1)ACD/LogP: 2.4; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.24; (4)ACD/LogD (pH 7.4): 2.40; (5)ACD/BCF (pH 5.5): 26.87; (6)ACD/BCF (pH 7.4): 39.02; (7)ACD/KOC (pH 5.5): 329.53; (8)ACD/KOC (pH 7.4): 478.54; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 12.47 Å2; (13)Flash Point: 180.4 °C; (14)Enthalpy of Vaporization: 60.31 kJ/mol; (15)Boiling Point: 357.7 °C at 760 mmHg; (16)Vapour Pressure: 2.68E-05 mmHg at 25°C.

Uses of 4-Benzyloxyaniline hydrochloride: it can be used to produce benzoic acid-(4-benzyloxy-anilide). It will need reagent pyridine with the reaction time of 15 min. The yield is about 90%.

4-Benzyloxyaniline hydrochloride can be used to produce benzoic acid-(4-benzyloxy-anilide)

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. You should not breathe dust. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O(c1ccc(cc1)N)Cc2ccccc2
(2)Std. InChI: InChI=1S/C13H13NO.ClH/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11;/h1-9H,10,14H2;1H
(3)Std. InChIKey: KQBDLOVXZHOAJI-UHFFFAOYSA-N

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