CAS 135328-57-3 Methyl 4-benzyloxy-3-nitrobenzoate (HCID 289857)

Substructure search Find similar structures

Basic information

CAS: 135328-57-3
Standard SMILES: COC(=O)c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1
InChIKey: MIJSBCQXHMDVBQ-UHFFFAOYSA-N
Molecular formula: C15H13NO5
Average molar mass: 287.27 g/mol

Names & identifiers

Preferred name: Methyl 4-benzyloxy-3-nitrobenzoate
IUPAC: methyl 3-nitro-4-phenylmethoxybenzoate
English name: methyl 4-(benzyloxy)-3-nitrobenzoate
Molecular formula: C15H13NO5
Molecular weight: 287.26742

Names & synonyms

135328-57-3METHYL 4-BENZYLOXY-3-NITROBENZOATERefChem:816210653-019-7methyl 4-(benzyloxy)-3-nitrobenzoateNSC152204SCHEMBL751415MIJSBCQXHMDVBQ-UHFFFAOYSA-NMFCD00086543STL582244AKOS024323627NSC-152204

Show more names

SY277993DB-4172474-Benzyloxy-3-nitro-benzoic acid methyl ester

Database identifiers

CAS: 135328-57-3
PubChem CID: 289857
EC Number: 653-019-7

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 81.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 21
Formal charge: 0
Complexity: 362

Physicochemical properties

Symbol(GHS): 7 · GHS07,GHS09,GHS05
Signal word: Danger
Hazard statements: 400 · H400-H315-H318-H335
Precautionary statements: 273 · P273-P391-P501-P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 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

Signal word: Danger
Symbol(GHS): GHS07,GHS09,GHS05
Hazard statements: H400-H315-H318-H335
Precautionary statements: P273-P391-P501-P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362