CAS 13324-11-3 Methyl 2-chloro-4-nitrobenzoate (HCID 83343)

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Basic information

CAS: 13324-11-3
Standard SMILES: COC(=O)c1ccc([N+](=O)[O-])cc1Cl
InChIKey: PICNSXCJRMYANX-UHFFFAOYSA-N
Molecular formula: C8H6ClNO4
Average molar mass: 215.59 g/mol
Monoisotopic mass: 214.99853535

Names & identifiers

Preferred name: Methyl 2-chloro-4-nitrobenzoate
IUPAC: methyl 2-chloro-4-nitrobenzoate
English name: Methyl 2-chloro-4-nitrobenzoate
Molecular formula: C8H6ClNO4
Molecular weight: 215.59

Names & synonyms

Methyl 2-chloro-4-nitrobenzoateBenzoic acid, 2-chloro-4-nitro-, methyl ester2-Chloro-4-nitrobenzoic Acid Methyl EsterEINECS 236-362-3F9KQ5NY29Z4-nitro-2-chlorobenzoic acid methyl esterDTXSID30158023RefChem:157313DTXCID7080514236-362-3PICNSXCJRMYANX-UHFFFAOYSA-N13324-11-3

Show more names

LIXI-002BUTTPARK 94\04-05METHYL-4-NITRO-2-CHLOROBENZOATEMethyl2-Chloro-4-nitrobenzoate>Methyl 2-chloro-4-nitrobenzoate,98%

MFCD00017013Maybridge1_005088UNII-F9KQ5NY29ZHMS555P06AB7493AKOS000371685CCG-251131CS-0099155

Database identifiers

CAS: 13324-11-3
PubChem CID: 83343
DTXSID: DTXSID30158023
UNII: F9KQ5NY29Z
EC Number: 236-362-3
Nikkaji: J47.498C

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 72.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 240

Physicochemical properties

Melting point: 77 · 77-78 °C
Boiling point: 324.8 · 324.8±27.0 °C(Predicted)
Density: 1.426 · 1.426±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
form: Powder
color: Almost beige
BRN: 1877723 · 1877723
CAS DataBase Reference: 13324 · 13324-11-3(CAS DataBase Reference)
FDA UNII: 9 KQ5NY29Z · F9KQ5NY29Z
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 37 · 37/39-26

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (86.4%): Harmful if swallowed [Warning Acute toxicity, oral]

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)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.