2-Chloro-4-nitrobenzotrifluoride

HCID 2778985

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Basic information

CAS: 151504-80-2
Standard SMILES: O=[N+]([O-])c1ccc(C(F)(F)F)c(Cl)c1
InChIKey: MOTWHSMEZCFDOD-UHFFFAOYSA-N
Molecular formula: C7H3ClF3NO2
Average molar mass: 225.55 g/mol
Monoisotopic mass: 224.98044068

Names & identifiers

Preferred name: 2-Chloro-4-nitrobenzotrifluoride
IUPAC: 2-chloro-4-nitro-1-(trifluoromethyl)benzene
English name: 2-Chloro-4-nitrobenzotrifluoride
Molecular formula: C7H3ClF3NO2
Molecular weight: 225.55

Names & synonyms

2-Chloro-4-nitrobenzotrifluoride151504-80-2DTXSID00381220RefChem:258822DTXCID303322452-chloro-4-nitro-1-(trifluoromethyl)benzeneMFCD00171532Benzene, 2-chloro-4-nitro-1-(trifluoromethyl)-2-Chloro-4-nitro-1-trifluoromethylbenzeneSCHEMBL3630624MOTWHSMEZCFDOD-UHFFSCHEMBL31318376

Show more names

2-Chloro-4-nitrobenzotrifluoride,98%3-Chloro-4-(trifluoromethyl)nitrobenzene2-Chloro-4-nitro-1-(trifluoromethyl)benzene, 3-Chloro-4-(trifluoromethyl)nitrobenzene

MOTWHSMEZCFDOD-UHFFFAOYSA-NSBB064778AKOS015890297CS-W0063603-Chloro-4-trifluoromethyl-nitrobenzeneAC-28591DS-17017SY022900

Database identifiers

CAS: 151504-80-2
PubChem CID: 2778985
DTXSID: DTXSID00381220
EC Number: 671-602-4
Nikkaji: J141.349J

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 45.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 0
Heavy atoms: 14
Formal charge: 0
Complexity: 228

Physicochemical properties

Boiling point: 247.4 · 247.4±40.0 °C(Predicted)
Density: 1.511 · 1.511
storage temp.: Sealed in dry,Room Temperature
form: Liquid
color: Colorless to pale yellow
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi
Risk Statements: 20 · 20/21/22-36/37/38
Safety Statements: 26 · 26-36/37/39
HazardClass: IRRITANT
HS Code: 2904990090 · 2904990090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (50%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.