CAS 5264-65-3 4-Chloro-3,5-dinitrotoluene (HCID 78918)

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Basic information

CAS: 5264-65-3
Standard SMILES: Cc1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1
InChIKey: JMDVARRGYWIJGZ-UHFFFAOYSA-N
Molecular formula: C7H5ClN2O4
Average molar mass: 216.58 g/mol
Monoisotopic mass: 215.9937843

Names & identifiers

Preferred name: 4-Chloro-3,5-dinitrotoluene
IUPAC: 2-chloro-5-methyl-1,3-dinitrobenzene
English name: 4-CHLORO-3,5-DINITROTOLUENE
Molecular formula: C7H5ClN2O4
Molecular weight: 216.58

Names & synonyms

4-Chloro-3,5-dinitrotolueneEINECS 226-080-9DTXSID30200617NSC 105591RefChem:521185DTXCID60123108226-080-95264-65-32-Chloro-5-methyl-1,3-dinitrobenzeneMFCD00060535Benzene, 2-chloro-5-methyl-1,3-dinitro-2,6-dinitro-4-methylchlorobenzene

Show more names

3,5-Dinitro-4-chlorotoluene2-(2-methylphenyl)-1-cyclohexanol2-Chloro-1,3-dinitro-5-methylbenzene5264-65-3 4-CHLORO-3,5-DINITROTOLUENE

NSC1055914-chloro-3,5dinitrotolueneNCIOpen2_007318SCHEMBL8677526AKOS003632007MS-3686NSC-1055912-chloro-5-methyl-1,3-dinitro-benzene

Database identifiers

CAS: 5264-65-3
PubChem CID: 78918
DTXSID: DTXSID30200617
EC Number: 226-080-9
Nikkaji: J297.965I

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 91.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 14
Formal charge: 0
Complexity: 225

Physicochemical properties

Melting point: 114 °C · 114 °C
form: Solid
CAS DataBase Reference: 5264 · 5264-65-3(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P271-P280
Hazard Codes: Xi
Risk Statements: 20 · 20/21/22-36/37/38
Safety Statements: 26 · 26-36/37/39
Hazard Note: Irritant
HazardClass: IRRITANT, IRRITANT-HARMFUL
HS Code: 2904990090 · 2904990090

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.