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

HCID 75181
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Basic information

CAS
2215-63-6
Standard SMILES
O=c1[nH]n(Cc2ccccc2)c2ccccc12
InChIKey
SXPJFDSMKWLOAB-UHFFFAOYSA-N
Molecular formula
C14H12N2O
Average molar mass
224.26 g/mol
Monoisotopic mass
224.094963

Overview

structure given in first source

Names & identifiers

Preferred name
1-benzyl-1H-indazol-3-ol
IUPAC
1-benzyl-2H-indazol-3-one
English name
1-Benzyl-3-hydroxy-1H-indazole
Molecular formula
C14H12N2O
Molecular weight
224.26

Names & synonyms

2215-63-61-Benzyl-1H-indazol-3-ol1-Benzyl-1,2-dihydro-3H-indazol-3-oneYL5ZXN63Q6NSC-247064DTXSID301766811-benzyl-3-indazolinoneRefChem:907505DTXCID8099172218-680-41-Benzyl-3-hydroxy-1H-indazole1-benzyl-2H-indazol-3-one
Show more names
5-HydroxybenzydamineBenzydamine ImpurityBenzydamine Impurity CBenzydamine Impurity 21-Benzyl-3-hydroxyindazol1-(benzyl)indazolin-3-one
1-Benzyl-3-hydroxyindazoleMFCD016311731-Benzyl-1,2-dihydro-indazol-3-one3H-Indazol-3-one, 1,2-dihydro-1-(phenylmethyl)-CHEMBL86121H-INDAZOL-3-OL, 1-(PHENYLMETHYL)-Benzydamine EP Impurity CCBMicro_007258

Database identifiers

CAS
2215-63-6
PubChem CID
75181
DTXSID
DTXSID30176681
ChEMBL
CHEMBL8612
UNII
YL5ZXN63Q6
EC Number
218-680-4
Nikkaji
J26.625F

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
32.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
17

Experimental & physicochemical properties

Solubility12.5 [ug/mL] (The mean of the results at pH 7.4)

Physicochemical properties

Melting point
165 · 165-169 °C
Density
1.242 · 1.242±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
solubility
Acetonitrile (Slightly), DMSO (Slightly), Methanol (Slightly)
form
Solid
pka
11.86 · 11.86±0.20(Predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (88.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (88.6%)

Safety data

wgk
3
hs_code
29339900
risk_code
36/37/38-22
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi,Xn

Chemistry & industry

Applications

UsesBenzydamine intermediate.

Upstream & downstream products

Suppliers90 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]

Related reactions

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Compound notes

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