5-Bromo-8-naphtholactam

HCID 754763

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Basic information

CAS: 24856-00-6
Standard SMILES: O=C1Nc2ccc(Br)c3cccc1c23
InChIKey: AWNRAAVXFSTMQS-UHFFFAOYSA-N
Molecular formula: C11H6BrNO
Average molar mass: 248.07 g/mol
Monoisotopic mass: 246.96327591

Names & identifiers

Preferred name: 5-Bromo-8-naphtholactam
IUPAC: 6-bromo-1H-benzo[cd]indol-2-one
English name: 5-bromo-8-naphtholactam
Molecular formula: C11H6BrNO
Molecular weight: 248.08

Names & synonyms

24856-00-65-bromo-8-naphtholactam6-bromobenz[cd]indol-2(1H)-oneEC 413-480-56-Bromobenz(cd)indol-2(1H)-oneRefChem:533951413-480-56-bromobenzo[cd]indol-2(1H)-one6-bromo-1H-benzo[cd]indol-2-one6-bromo-benzo[cd]indol-2(1h)-oneMFCD00463109CBMicro_016418

Show more names

6-bromobenzenebenzo[cd]indole-2(1H)-one

6-bromobenz(cd)indol-2one6-bromobenz(cd)indol-2-oneSCHEMBL7118963DTXSID2013063586-bromo-benz[cd]indol-2(1H)-oneCCG-5454Benz[cd]indol-2(1H)-one, 6-bromo-AS-93427

Database identifiers

CAS: 24856-00-6
PubChem CID: 754763
DTXSID: DTXSID201306358
EC Number: 413-480-5

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 14
Formal charge: 0
Complexity: 268

Physicochemical properties

Melting point: 255 · 255-256 °C
Boiling point: 284.8 · 284.8±19.0 °C(Predicted)
Density: 1.727 · 1.727±0.06 g/cm3(Predicted)
storage temp.: 2 · Storage temp. 2-8°C
pka: 12.57 · 12.57±0.20(Predicted)
Appearance: Light yellow to green yellow Solid
InChI: InChI=1S/C11H6BrNO/c12-8-4-5-9-10-6(8)2-1-3-7(10)11(14)13-9/h1-5H,(H,13,14)
InChIKey: AWNRAAVXFSTMQS-UHFFFAOYSA-N
SMILES: N1C2=C3C(C=CC=C3C1=O)=C(Br)C=C2
EWG's Food Scores: 1 · 1-2
Symbol(GHS): 7 · GHS07,GHS09
Signal word: Warning
Hazard statements: 302 · H302-H317-H410
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P273-P391-P501
Hazard Codes: Xn,N
Risk Statements: 22 · 22-43-50/53
Safety Statements: 22 · 22-24-37-60-61
REACH Registrations: Inactive

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

H302: Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Warning

H302: Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Hazard information

Regulatory InformationStatus: Cease Manufacture Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/4518

Hazard Classes and Categories · 2 items

Acute toxicity - category 4

Acute Tox. 4 *

Safety data

risk_code: 22-43-50/53
Signal word: Warning
Symbol(GHS): GHS07,GHS09
hazard_code: Xn,N
safety_code: 22-24-37-60-61
Hazard statements: H302-H317-H410
REACH Registrations: Inactive
Precautionary statements: P264-P270-P301+P312-P330-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P273-P391-P501