CAS 938-39-6 4-Bromoquinolin-2-ol (HCID 15534780)

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Basic information

CAS: 938-39-6
Standard SMILES: O=c1cc(Br)c2ccccc2[nH]1
InChIKey: WIVIYVYDZYAUMB-UHFFFAOYSA-N
Molecular formula: C9H6BrNO
Average molar mass: 224.05 g/mol
Monoisotopic mass: 222.96328

Names & identifiers

Preferred name: 4-Bromoquinolin-2-ol
IUPAC: 4-bromo-1H-quinolin-2-one
English name: 4-Bromoquinolin-2(1H)-one
Molecular formula: C9H6BrNO
Molecular weight: 224.05

Names & synonyms

4-Bromoquinolin-2-olRefChem:520566856-096-74-Bromoquinolin-2-one938-39-64-BROMO-1H-QUINOLIN-2-ONE4-BROMOQUINOLIN-2(1H)-ONEMFCD082346642(1H)-Quinolinone, 4-bromo-4-bromo-1,2-dihydroquinolin-2-one4-bromo-2-hydroxyquinolineSCHEMBL1770981

Show more names

4-Bromo-2(1H)-quinolinone 98%min

SCHEMBL25330955SCHEMBL31688848DTXSID30573797WIVIYVYDZYAUMB-UHFFFAOYSA-NAAA938394-broMo-2,3-dihydroquinolin-2-oneAKOS0160022374-Bromo-2(1H)-quinolinone 98%min

Database identifiers

CAS: 938-39-6
PubChem CID: 15534780
DTXSID: DTXSID30573797
EC Number: 856-096-7

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 237

Physicochemical properties

Melting point: 266.5 °C · 266.5°C
Boiling point: 381.2 · 381.2±42.0 °C(Predicted)
Density: 1.5708 · 1.5708 (rough estimate)
refractive index: 1.612 · 1.6120 (estimate)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: 10.33 · 10.33±0.70(Predicted)
Appearance: Off-white to light brown Solid
InChI: InChI=1S/C9H6BrNO/c10-7-5-9(12)11-8-4-2-1-3-6(7)8/h1-5H,(H,11,12)
InChIKey: WIVIYVYDZYAUMB-UHFFFAOYSA-N
SMILES: N1C2=C(C=CC=C2)C(Br)=CC1=O
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302
Precautionary statements: P280-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Upstream raw materials

Suppliers43 total

宁波振岳医药科技有限公司19817745290 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

咸宁深蓝生物医药研发有限公司18171815831 · [email protected]

上海科斯克尔医药科技有限公司00000000 15021108835 · [email protected]

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