Acetanthranil

HCID 68236
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
525-76-8
Standard SMILES
Cc1nc2ccccc2c(=O)o1
InChIKey
WMQSKECCMQRJRX-UHFFFAOYSA-N
Molecular formula
C9H7NO2
Average molar mass
161.16 g/mol
Monoisotopic mass
161.04767846

Names & identifiers

Preferred name
Acetanthranil
IUPAC
2-methyl-3,1-benzoxazin-4-one
English name
2-Methyl-4H-3,1-benzoxazin-4-one
Molecular formula
C9H7NO2
Molecular weight
161.16

Names & synonyms

525-76-82-Methyl-4H-3,1-benzoxazin-4-oneAcetanthranil4H-3,1-Benzoxazin-4-one, 2-methyl-2-Methyl-4-oxo-4H-3,1-benzoxazineDTXSID0049313Y938TMX1D8EINECS 208-381-7NSC 10119NSC-10119NSC-521353DTXCID5029269
Show more names
NSC 521353AURORA KA-3785AcetylanthranylACETYL ANTHRANILTIMTEC-BB SBB000135
RefChem:551865208-381-7ACETYLANTHRANIL2-Methyl-4H-benzo[d][1,3]oxazin-4-one2-Methyl-3,1-benzoxaza-4-one2-methyl-3,1-benzoxazin-4-oneMFCD00047647NSC10119

Database identifiers

CAS
525-76-8
PubChem CID
68236
DTXSID
DTXSID0049313
ChEMBL
CHEMBL343202
UNII
Y938TMX1D8
EC Number
208-381-7
Nikkaji
J11.720J

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
38.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
12

Physicochemical properties

Melting point
79 · 79-82 °C(lit.)
Boiling point
144 · 144-145 °C(Press: 12 Torr)
Density
1.25 · 1.25±0.1 g/cm3(Predicted)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C
pka
2.84 · 2.84±0.20(Predicted)
Appearance
Light yellow to brown Solid

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
tsca
TSCA listed
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Uses & manufacturing

General Manufacturing Information4H-3,1-Benzoxazin-4-one, 2-methyl-: INACTIVE
Applications · 1 item

Uses2-Methyl-4H-3,1-benzoxazin-4-one is a synthetic antimicrobial agent. It belongs to the quinazolinone class of drugs. It has been shown to be effective against Staphylococcus aureus and other bacteria. Quinazolinones are potent inhibitors of bacterial growth and have been used successfully in the treatment of tuberculosis and other infectious diseases. 2-Methyl-4H-3,1-benzoxazin-4-one has also been shown to inhibit the growth of some Gram-negative bacteria, such as Salmonella typhi and Escherichia coli.

Upstream & downstream products

Suppliers83 total

郑州阿尔法化工有限公司+86-18530059196 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

Related reactions

43 records
New reaction record

Compound notes

Loading…