Ethyl 2,1,3-benzoxadiazole-5-carboxylate

HCID 2736368

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Basic information

CAS: 36389-07-8
Standard SMILES: CCOC(=O)c1ccc2nonc2c1
InChIKey: ZTZZIZQMAQKOPC-UHFFFAOYSA-N
Molecular formula: C9H8N2O3
Average molar mass: 192.17 g/mol
Monoisotopic mass: 192.05349212

Names & identifiers

Preferred name: Ethyl 2,1,3-benzoxadiazole-5-carboxylate
IUPAC: ethyl 2,1,3-benzoxadiazole-5-carboxylate
English name: Ethyl benzofurazan-5-carboxylate
Molecular formula: C9H8N2O3
Molecular weight: 192.17

Names & synonyms

36389-07-8ethyl 2,1,3-benzoxadiazole-5-carboxylateDTXSID30371311RefChem:342129DTXCID50322345Ethyl benzofurazan-5-carboxylateethyl benzo[c][1,2,5]oxadiazole-5-carboxylateMFCD00276586benzo[1,2,5]oxadiazole-5-carboxylic acid ethyl esterMaybridge1_004838SCHEMBL1419962HMS555D20

Show more names

BUTTPARK 33\04-42RARECHEM AL BI 1194Ethylbenzofurazan-5-carboxylate97%Ethyl benzofurazan-5-carboxylate 97%2,1,3-Benzoxadiazole-5-carboxylic acid ethyl ester

ZTZZIZQMAQKOPC-UHFFFAOYSA-NCCG-45606SBB091393AKOS005255245FS-4605DB-265033CS-0313555ethyl benzo[c]1,2,5-oxadiazole-5-carboxylate

Database identifiers

CAS: 36389-07-8
PubChem CID: 2736368
DTXSID: DTXSID30371311
EC Number: 673-070-9

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 65.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 222

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 233 · P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
Hazard Codes: Xi
Hazard Note: 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_code: Xi
hazard_note: Irritant
Hazard statements: H315-H319-H335
Precautionary statements: P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501