Methyl 5-bromo-1H-indazole-3-carboxylate

Basic Information

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CAS Number

78155-74-5

Molecular Formula

C9H7BrN2O2

Molecular Weight

255.07 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

208-210 ºC

Boiling Point

399.7°C at 760 mmHg

Density

1.709

SMILES

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COC(=O)C1=NNC2=C1C=C(C=C2)Br

InChI

InChI=1S/C9H7BrN2O2/c1-14-9(13)8-6-4-5(10)2-3-7(6)11-12-8/h2-4H,1H3,(H,11,12)

InChIKey

WVNKCZKRGOOMNU-UHFFFAOYSA-N

LogP

2.1119999999999997

Topological Polar Surface Area

54.980000000000004 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

237

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

AKOS015949515
DTXSID90506965
SY032790
Methyl 5-bromo-1H-indazole-3-carboxylate
CS-W008961
5-bromoindazole-3-carboxylic acid methylester
A839345
PS-5700
SCHEMBL4291226
J-522438
78155-74-5
5-bromo-1H-indazole-3-carboxylic acid methyl ester
WVNKCZKRGOOMNU-UHFFFAOYSA-N
AC-29509
(2S,3S)-1-(2-METHYLAMINO-2-PHENYL-ETHYL)-PYRROLIDIN-3-OL
AM20041170
5-Bromo-2h-indazole-3-carboxylic acid methyl ester
FT-0647408
1H-INDAZOLE-3-CARBOXYLIC ACID, 5-BROMO-, METHYL ESTER
PB23484
MFCD07371572
1H-Indazole-3-carboxylicacid, 5-bromo-, methyl ester
5-Bromo-1H-indazole-3-carboxylic acid methyl ester
RP06218
TRA0072366
BC230221
5-Bromo-3-(methoxycarbonyl)-1H-indazole
AB0038189
ST1100743
C2392
Y5546

MDL Number

MFCD07371572

Customs Code

2933990090

FAQ

What regulatory guidelines apply to Methyl 5-bromo-1H-indazole-3-carboxylate (CAS: 78155-74-5)?

Methyl 5-bromo-1H-indazole-3-carboxylate (CAS: 78155-74-5) is subject to regulatory guidelines under the Global Harmonized System (GHS) for Classification and Labeling of Chemicals, REACH in the European Union, and FDA/EPA requirements for its manufacture, import, and use. Compliance with these regulations is mandatory to ensure safe handling and disposal.

Are there alternatives to Methyl 5-bromo-1H-indazole-3-carboxylate (CAS: 78155-74-5) in synthesis?

For synthesis, alternatives to Methyl 5-bromo-1H-indazole-3-carboxylate (CAS: 78155-74-5) include methyl 5-chloro-1H-indazole-3-carboxylate and methyl 5-iodo-1H-indazole-3-carboxylate. These analogs can be used as substitutes depending on the specific reaction conditions and desired product.

What is the market or research trend for Methyl 5-bromo-1H-indazole-3-carboxylate (CAS: 78155-74-5)?

Methyl 5-bromo-1H-indazole-3-carboxylate (CAS: 78155-74-5) is currently being researched for its potential applications in medicinal chemistry and organic synthesis. Market trends indicate a growing interest in its use as a starting material for drug discovery and as a functional group for further chemical transformations.

How should waste containing Methyl 5-bromo-1H-indazole-3-carboxylate (CAS: 78155-74-5) be handled?

Waste containing Methyl 5-bromo-1H-indazole-3-carboxylate (CAS: 78155-74-5) should be collected in designated containers and disposed of through professional hazardous waste disposal services. Proper incineration or other environmentally friendly disposal methods should be employed to prevent environmental contamination and comply with local regulations.