6-Chloro-2-phenyl-4H-3,1-benzoxazin-4-one

HCID 691016
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Basic information

CAS
7033-51-4
Standard SMILES
O=c1oc(-c2ccccc2)nc2ccc(Cl)cc12
InChIKey
RQDCQRFZYXJXMW-UHFFFAOYSA-N
Molecular formula
C14H8ClNO2
Average molar mass
257.67 g/mol
Monoisotopic mass
257.02435618

Names & identifiers

Preferred name
6-Chloro-2-phenyl-4H-3,1-benzoxazin-4-one
IUPAC
6-chloro-2-phenyl-3,1-benzoxazin-4-one
English name
6-CHLORO-2-PHENYLBENZO[D][1,3]OXAZIN-4-ONE
Molecular formula
C14H8ClNO2
Molecular weight
257.67

Names & synonyms

7033-51-46-chloro-2-phenyl-4H-3,1-benzoxazin-4-oneRefChem:3078706-chloro-2-phenyl-4h-benzo[d][1,3]oxazin-4-one6-chloro-2-phenyl-3,1-benzoxazin-4-oneMFCD006405446-CHLORO-2-PHENYLBENZO[D][1,3]OXAZIN-4-ONESR-010005123786-Chloro-2-phenyl-benzo[d][1,3]oxazin-4-oneOprea1_084653Oprea1_645776SCHEMBL2704120
Show more names
4H-3,1-Benzoxazin-4-one, 6-chloro-2-phenyl-
RQDCQRFZYXJXMW-UHFFFAOYSA-NDTXSID101271346AKOS000540921DB-307013ST40203386-chloro-2-phenylbenzo[d]1,3-oxazin-4-oneCS-0331294EU-0084390

Database identifiers

CAS
7033-51-4
PubChem CID
691016
DTXSID
DTXSID101271346
Nikkaji
J3.198.491B

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
38.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
18

Physicochemical properties

Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
280 · P280-P305+P351+P338

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Suppliers6 total

南京友杰医药科技有限公司18860950986 · [email protected]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
南京贝开思医药科技有限公司+86-13912903754 13912903754 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]

Related reactions

12 records
New reaction record

Compound notes

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