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1-Benzyl-1H-indazol-3-ol

1-Benzyl-1H-indazol-3-ol structure

CAS No:
2215-63-6
Formula:
C14H12N2O
Chemical Name:
1-Benzyl-1H-indazol-3-ol
Synonyms:
3H-Indazol-3-one,1,2-dihydro-1-(phenylmethyl)-;1H-Indazol-3-ol,1-benzyl-;3-Indazolinone,1-benzyl-;1,2-Dihydro-1-(phenylmethyl)-3H-indazol-3-one;1-Benzyl-3-hydroxy-1H-indazole;1-Benzyl-3-hydroxyindazole;1-Benzyl-1H-indazolone;1-Benzyl-1H-indazol-3-ol;3-Hydroxy-1-benzyl-1H-indazole;1-Benzyl-1H-indazol-3-one;1-Benzyl-3-indazolinone;1-Benzyl-3-indazolone;1-Benzyl-1,2-dihydro-3H-indazol-3-one;NSC 247064;1-Benzyl-2H-indazol-3-one;1-Benzyl-1H-indazol-3(2H)-one;1-Benzyl-2,3-dihydro-1H-indazol-3-one;40428-01-1
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

Beige powder

1-Benzyl-1H-indazol-3-ol Basic Attributes

Molecular Weight：

224.26

Exact Mass：

224.26

EC Number：

218-680-4

NSC Number：

247064

DSSTox ID：

DTXSID30176681

HScode：

2933990090

Characteristics

PSA：

32.3

XLogP3：

3.57

Appearance：

Beige powder

Density：

1.2±0.1 g/cm3

Melting Point：

167 °C

Boiling Point：

432.3±28.0 °C at 760 mmHg

Flash Point：

215.3±24.0 °C

Refractive Index：

1.647

Water Solubility：

12.5 [ug/mL]

Storage Conditions：

Refrigerator

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38-22

safety instructions：

37/39-26-24/25

Marks：

Xi,Xn

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (88.64%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

1-benzyl-1H-indazol-3-ol

1-Benzyl-1H-indazol-3-ol Use and Manufacturing

Methods of Manufacturing

The anthranilic acid and benzyl chloride are heated and reacted to obtain N-benzyl-anthranilic acid by condensation, which is then nitrosated with sodium nitrite and hydrochloric acid to obtain N-benzyl-N-nitrosanthranilic acid. The latter is obtained by reduction and cyclization.

Uses

Benzydamine intermediate.

Computed Properties

Molecular Weight:224.26
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:224.094963011
Monoisotopic Mass:224.094963011
Topological Polar Surface Area:32.3
Heavy Atom Count:17
Complexity:286
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Benzyl chloride

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CAS No.: 2215-63-6

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