CAS 51282-56-5 Ethyl 5-chloro-2-nitrobenzoate (HCID 603450)

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Basic information

CAS: 51282-56-5
Standard SMILES: CCOC(=O)c1cc(Cl)ccc1[N+](=O)[O-]
InChIKey: RICLVXMCOVKPRW-UHFFFAOYSA-N
Molecular formula: C9H8ClNO4
Average molar mass: 229.62 g/mol
Monoisotopic mass: 229.0141854

Names & identifiers

Preferred name: Ethyl 5-chloro-2-nitrobenzoate
IUPAC: ethyl 5-chloro-2-nitrobenzoate
English name: Ethyl 5-chloro-2-nitrobenzoate
Molecular formula: C9H8ClNO4
Molecular weight: 229.62

Names & synonyms

Ethyl 5-chloro-2-nitrobenzoate51282-56-5Benzoic acid, 5-chloro-2-nitro-, ethyl ester5-chloro-2-nitro-benzoic acid ethyl esterMFCD06204330Ethyl-5-chloro-2-nitrobenzoateEthyl5-chloro-2-nitrobenzoateSCHEMBL267821ethyl 5-chloro-2-nitro-benzoateBCA28256AKOS0089483285-Chloro-2-nitrobenzoic acid ethyl ester

Show more names

CS-0307959EN300-102478G58005F718177

Database identifiers

CAS: 51282-56-5
PubChem CID: 603450
EC Number: 175-589-1

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 72.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 253

Physicochemical properties

Boiling point: 319.8 · 319.8±22.0 °C(Predicted)
Density: 1.369 · 1.369±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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.