methyl 1H-indazole-6-carboxylate

HCID 286535CAS 170487-40-8
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)c1ccc2cn[nH]c2c1
InChIKey
TUSICEWIXLMXEY-UHFFFAOYSA-N
Molecular formula
C9H8N2O2
Average molar mass
176.17 g/mol
Monoisotopic mass
176.0585775

Names & identifiers

Preferred name
methyl 1H-indazole-6-carboxylate
IUPAC
methyl 1H-indazole-6-carboxylate
English name
Methyl 1H-indazole-6-carboxylate
Molecular formula
C9H8N2O2
Molecular weight
176.17

Names & synonyms

methyl 1h-indazole-6-carboxylate170487-40-8DTXSID20301622RefChem:812814DTXCID70252756681-410-21H-Indazole-6-carboxylic acid methyl esterMethyl indazole-6-carboxylateMFCD073716126-(1H)Indazole carboxylic acid methyl esterIndazole-6-carboxylic acid methyl esterMLS002920644
Show more names
1H-indazole-6-carboxylateMethyl indazole-6-carboxy...Methyl 1H-indazol-6-carboxylate1H-Indazole-6-carboxylic acid methyl131H-Indazole-6-carboxylic acid methyl ester
1H-Indazole-6-carboxylic acid, methyl esterNSC1449922H-Indazole-6-carboxylic acid methyl estermethyl indazole-6carboxylateSCHEMBL347171methyl1h-indazole-6-carboxylateSCHEMBL21730148SCHEMBL29643878

Database identifiers

CAS
170487-40-8
PubChem CID
286535
DTXSID
DTXSID20301622
EC Number
681-410-2

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
55 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
13

Physicochemical properties

Melting point
142 · 142-144℃
Boiling point
345.2 · 345.2±15.0 °C(Predicted)
Density
1.324 · 1.324±0.06 g/cm3(Predicted)
storage temp.
Inert atmosphere,Room Temperature
form
powder to crystal
pka
12.43 · 12.43±0.40(Predicted)

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (16.7%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

wgk
3
hs_code
2933998090
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H315-H319-H335
Precautionary statements
P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Applications

UsesMethyl 1H-indazole-6-carboxylateis used in organic synthesis.

Upstream & downstream products

Suppliers50 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海泰锐尔生物科技有限公司021-54822871 13817743194
上海弘顺生物科技有限公司15901914505 · [email protected]

Related reactions

35 records
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Linked notes

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