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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 17842471Generated: October 23, 2026

6-Bromo-1H-indazole

6-BROMO-1H-INDAZOLE · 1H-Indazole, 6-bromo- · 6-BROMOINDAZOLE · 6-bromocarbazole · 6-Bromoindazole >IFLAB-BB F2108-0126 · 6-Bromo-1H-indazole 95% · 6-Bromo-1H-indazole, 95% · 9-(trifluromethyl)acetanilide

https://huagongshe.com/en/chemical/17842471

6-Bromo-1H-indazole molecular structure

Identifiers & Physical Properties

CAS No.79762-54-2
Molecular formulaC7H5BrN2
Average molar mass197.03 g/mol
Monoisotopic mass195.96361026 g/mol
SMILESBrc1ccc2cn[nH]c2c1
InChIKeyWMKDUJVLNZANRN-UHFFFAOYSA-N
PubChem CID17842471
ChEMBLCHEMBL247365
EC No.626-742-0
DTXSIDDTXSID80591229

Chemical & Physical Properties

XLogP2.9
Topological polar surface area28.7
Hydrogen bond donors1
Hydrogen bond acceptors1
Rotatable bonds0
Heavy atoms10
Formal charge0
Complexity129
Melting point180-182
Boiling point333.8±15.0 °C(Predicted)
Density1.770±0.06 g/cm3(Predicted)
Storage conditionsSealed in dry,Room Temperature
Solubilitysoluble in Methanol
Physical statepowder to crystal
pKa (acidity coefficient)12.78±0.40(Predicted)
ColorWhite to Light yellow to Light orange
InChIInChI=1S/C7H5BrN2/c8-6-2-1-5-4-9-10-7(5)3-6/h1-4H,(H,9,10)
InChIKeyWMKDUJVLNZANRN-UHFFFAOYSA-N
SMILESN1C2=C(C=CC(Br)=C2)C=N1
CAS DataBase Reference79762-54-2(CAS DataBase Reference)
UNSPSC Code12352100
NACRESNA.22
GHS pictogramGHS05,GHS07
Signal wordDanger
GHS hazard statementsH315-H319-H302-H318-H335
GHS precautionary statementsP261-P280a-P304+P340-P405-P501a-P280-P305+P351+P338-P264-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Personal protective equipment (PPE)dust mask type N95 (US), Eyeshields, Gloves
Hazard symbolsXi,Xn
Risk statements (R)22-41
Safety statements (S)26-36/37-39
Water hazard class (WGK)3
Hazard classIRRITANTAcute Tox. 4 OralEye Dam. 1
Customs code29339900
Storage class11 - Combustible Solids

Safety & Regulations

GHS classificationDangerH302 (88%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 50 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and CategoriesAcute Tox. 4 (88%)
Personal protective equipment (PPE)dust mask type N95 (US), Eyeshields, Gloves
Water hazard class (WGK)3
Customs code29339900
Risk statements (R)22-41
Signal wordDanger
GHS pictogramGHS05,GHS07
Hazard symbolsXi,Xn
Safety statements (S)26-36/37-39
Hazard classIRRITANTAcute Tox. 4 OralEye Dam. 1
Storage class11 - Combustible Solids
GHS hazard statementsH315-H319-H302-H318-H335
GHS precautionary statementsP261-P280a-P304+P340-P405-P501a-P280-P305+P351+P338-P264-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313

Applications & Uses

Uses

6-Bromo-1H-indazole is an indazole derivative being studied as an inhibitor of DNA gyrase B and its antibacterial activity.