CAS 1548-61-4 Phenol, 4-nitro-2-(trifluoromethyl)- (HCID 3014014)

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Basic information

CAS: 1548-61-4
Standard SMILES: O=[N+]([O-])c1ccc(O)c(C(F)(F)F)c1
InChIKey: GWGZFNRFNIXCGH-UHFFFAOYSA-N
Molecular formula: C7H4F3NO3
Average molar mass: 207.11 g/mol
Monoisotopic mass: 207.01432765

Names & identifiers

Preferred name: Phenol, 4-nitro-2-(trifluoromethyl)-
IUPAC: 4-nitro-2-(trifluoromethyl)phenol
English name: 4-Nitro-2-trifluoromethylphenol
Molecular formula: C7H4F3NO3
Molecular weight: 207.11

Names & synonyms

1548-61-44-Nitro-2-(trifluoromethyl)phenolPhenol, 4-nitro-2-(trifluoromethyl)-DTXSID60165720RefChem:861285DTXCID9088211830-928-94-Nitro-2-(trifluoromethyl)benzenol4-Nitro-2-trifluoromethylphenolMFCD111009722-trifluoromethyl-4-nitrophenolPhenol, 4-nitro(trifluoromethyl)-

Show more names

1548-61-4 4-Nitro-2-(trifluoromethyl)benzenol

trifluoromethyl-4-nitrophenolSCHEMBL1549743SCHEMBL113006764-nitro-2-trifluoromethyl-phenola,a,a-Trifluoro-4-nitro-o-cresol4-nitro-2-(trifluoromethyl)-phenolSBB068738AKOS005072729

Database identifiers

CAS: 1548-61-4
PubChem CID: 3014014
DTXSID: DTXSID60165720
EC Number: 830-928-9
Nikkaji: J337.762H

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 66.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 0
Heavy atoms: 14
Formal charge: 0
Complexity: 225

Physicochemical properties

Melting point: 105 · 105-107°
Boiling point: 259 ℃ · 259℃
Density: 1.554 · 1.554
Flash point: 110 ℃ · 110℃
storage temp.: 2 · 2-8°C
solubility: DMSO (Slightly), Methanol (Slightly)
form: Solid
color: Yellow to Beige
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315; H319; H335
Precautionary statements: 261 · P261; P264; P271; P280; P302+P352; P304+P340; P305+P351+P338; P312; P321; P332+P313; P337+P313; P362; P403+P233; P405; P501
RIDADR: 2811 · 2811
HazardClass: IRRITANT
PackingGroup: Ⅲ
Limited Quantities: 0.5 Kg · 0.5 Kg (solid)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

ridadr: 2811
Signal word: Warning
Symbol(GHS): GHS07
hazard_class: IRRITANT
packing_group: Ⅲ
Hazard statements: H315; H319; H335
Limited Quantities: 0.5 Kg (solid)
Excepted Quantities: Max Inner Pack (1g or 1ml) and Max Outer Pack (500g or 500ml)
Precautionary statements: P261; P264; P271; P280; P302+P352; P304+P340; P305+P351+P338; P312; P321; P332+P313; P337+P313; P362; P403+P233; P405; P501