2H-1,3-Benzoxazine-2,4(3H)-dione

HCID 16258
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
2037-95-8
Standard SMILES
O=c1[nH]c(=O)c2ccccc2o1
InChIKey
OAYRYNVEFFWSHK-UHFFFAOYSA-N
Molecular formula
C8H5NO3
Average molar mass
163.13 g/mol
Monoisotopic mass
163.02694302

Names & identifiers

Preferred name
2H-1,3-Benzoxazine-2,4(3H)-dione
IUPAC
1,3-benzoxazine-2,4-dione
English name
2H-1,3-Benzoxazine-2,4(3H)-dione
Molecular formula
C8H5NO3
Molecular weight
163.13

Names & synonyms

Carsalam2037-95-82H-1,3-BENZOXAZINE-2,4(3H)-DIONE1,3-Benzoxazine-2,4-dioneCarsalamumDTXSID3046584NSC-36166685H843ULUDTXCID1026584RefChem:574734606-541-42H-Benzo[e][1,3]oxazine-2,4(3H)-dione
Show more names
CasalenCaxaranKasaronCacharonCarsalameTwo ketone
BeaprineRuhmalMFCD006005663,4-dihydro-2H-1,3-benzoxazine-2,4-dioneOxophenhydroxazineNCGC00166265-01OxobenzhydroxazinOxophenhydroxazin

Database identifiers

CAS
2037-95-8
PubChem CID
16258
DTXSID
DTXSID3046584
ChEMBL
CHEMBL1720051
ChEBI
CHEBI:134794
UNII
685H843ULU
EC Number
606-541-4
Nikkaji
J7.854I

Properties

Computed structural properties

XLogP
1
Topological polar surface area
55.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
12

Experimental & physicochemical properties

Collision Cross Section127.67 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

Physicochemical properties

Melting point
228 · 228-232 °C(lit.)
Density
1.402 · 1.402±0.06 g/cm3(Predicted)
vapor pressure
0.73 · 0.73-1.27Pa at 89.94-107.94℃
storage temp.
Sealed in dry,Room Temperature
solubility
40 mg/mL · DMSO : ≥ 40 mg/mL (245.20 mM)
form
Solid

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 3 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory InformationStatus: Active Update: 23-11-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24953；Status: Active Update: 07-06-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/32059
Hazard Classes and CategoriesAcute Tox. 4 (100%)

Regulatory information

Regulatory InformationStatus: Active Update: 23-11-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24953；Status: Active Update: 07-06-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/32059

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
rtecs
DM3110000
hs_code
2934999090
risk_code
22
Signal word
Warning

Chemistry & industry

Applications

Usesanalgesic

General DescriptionKinetic studies of the alkaline hydrolysis of 2H-1,3-benzoxazine-2,4(3H)-dione (carsalam) were conducted and reaction was found to be of fractional order with respect to [OH-].

Upstream & downstream products

Suppliers100 total

郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
普洛药业股份有限公司/浙江横店普洛进出口有限公司+86-0571-87635730 +86-13588737631
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

Additional notes

DefinitionChEBI: Carsalam is a benzoxazine.

Related reactions

15 records
New reaction record

Compound notes

Loading…