N-Benzylisatoic anhydride

HCID 520756

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 35710-05-5
Standard SMILES: O=c1oc(=O)n(Cc2ccccc2)c2ccccc12
InChIKey: XZNZVRHSHRYPDL-UHFFFAOYSA-N
Molecular formula: C15H11NO3
Average molar mass: 253.25 g/mol
Monoisotopic mass: 253.07389321

Names & identifiers

Preferred name: N-Benzylisatoic anhydride
IUPAC: 1-benzyl-3,1-benzoxazine-2,4-dione
English name: N-Benzylisatoic anhydride
Molecular formula: C15H11NO3
Molecular weight: 253.25

Names & synonyms

N-Benzylisatoic anhydride35710-05-51-benzyl-1h-benzo[d][1,3]oxazine-2,4-dione1-benzyl-3,1-benzoxazine-2,4-dioneMFCD000706381-Benzyl-2H-3,1-benzoxazine-2,4(1H)-dioneN-benzyl isatoic anhydrideSCHEMBL1522607CHEMBL2146666DTXSID00957121AKOS002751848FS-4527

Show more names

1-(phenylmethyl)-2,3-dihydroindole2H-3,1-Benzoxazine-2,4(1H)-dione, 1-(phenylmethyl)-

1-benzylbenzo[d]1,3-oxazine-2,4-dioneDB-048862CS-0437640ST51041848G778291-Benzyl-2H-3,1-benzoxazine-2,4(1H)-dione #F0182121-(Phenylmethyl)-2H-3,1-benzoxazine-2,4(1H)-dione

Database identifiers

CAS: 35710-05-5
PubChem CID: 520756
DTXSID: DTXSID00957121
ChEMBL: CHEMBL2146666
EC Number: 673-551-3
Nikkaji: J1.324.739K

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 46.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 19
Formal charge: 0
Complexity: 362

Physicochemical properties

Melting point: 136 °C · 136 °C
CAS DataBase Reference: 35710 · 35710-05-5(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H335-H319
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
HazardClass: IRRITANT
HS Code: 2934999090 · 2934999090

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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)

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

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Safety data

hs_code: 2934999090
Signal word: Warning
Symbol(GHS): GHS07
hazard_class: IRRITANT
Hazard statements: H315-H335-H319
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362