CAS 2105-61-5 1,2,4-Trifluoro-5-nitrobenzene (HCID 75012)

Names & identifiers

Preferred name: 1,2,4-Trifluoro-5-nitrobenzene
IUPAC: 1,2,4-trifluoro-5-nitrobenzene
English name: 1,2,4-Trifluoro-5-nitrobenzene
Molecular formula: C6H2F3NO2
Molecular weight: 177.08

Names & synonyms

1,2,4-Trifluoro-5-nitrobenzene2105-61-52,4,5-TrifluoronitrobenzeneBenzene, 1,2,4-trifluoro-5-nitro-5-Nitro-1,2,4-trifluorobenzene2,4,5-Trifluoro-1-nitrobenzene3ZU9GWD6VVNSC-10248ROJNMGYMBLNTPK-UHFFFAOYSA-DTXSID30175270EINECS 218-281-5NSC 10248

Show more names

1,2,4-Trifluoro-5-niuoronitrobenzene 98%2,4,5-TRIFLUOROBENZENE4-chloro-2-flurophenolOliceridine Impurity 191,2,4-Trifluor-5-nitrobenzol1-Nitro-2,4,5-trifluorobenzene2,4,5-Trifluoro-5-nitrobenzene

RefChem:71552DTXCID3097761218-281-5InChI=1/C6H2F3NO2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2HROJNMGYMBLNTPK-UHFFFAOYSA-NMFCD000070511,2,4-trifluoro-5-nitro-benzene2,4,5-trifluoro-nitrobenzene

Database identifiers

CAS: 2105-61-5
PubChem CID: 75012
DTXSID: DTXSID30175270
UNII: 3ZU9GWD6VV
EC Number: 218-281-5
Nikkaji: J236.465D

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 45.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 184

Physicochemical properties

Melting point: -11 °C · -11 °C (lit.)
Boiling point: 194 · 194-195 °C (lit.)
Density: 1.544 g/mL · 1.544 g/mL at 25 °C (lit.)
refractive index: 1.493 · 1.493-1.495
Flash point: 89 °C · 89 °C
storage temp.: 2 · 2-8°C
form: clear liquid
color: Light yellow to Brown to Dark green
Specific Gravity: 1.56 · 1.56
BRN: 2504370 · 2504370
InChI: InChI=1S/C6H2F3NO2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2H
InChIKey: ROJNMGYMBLNTPK-UHFFFAOYSA-N
SMILES: C1(F)=CC([N+]([O-])=O)=C(F)C=C1F
CAS DataBase Reference: 2105 · 2105-61-5(CAS DataBase Reference)
FDA UNII: 3 ZU9GWD6VV · 3ZU9GWD6VV
NIST Chemistry Reference: 1 · Benzene, 1,2,4-trifluoro-5-nitro-(2105-61-5)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 300 · H300-H315-H319-H335
Precautionary statements: 301 · P301+P310+P330-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xn,Xi,T
Risk Statements: 36 · 36/37/38-20/21/22-25
Safety Statements: 36 · 36/37/39-26-45-37/39
RIDADR: 2811 · UN 2811
WGK Germany: 3 · 3
Hazard Note: Irritant
HazardClass: 6.1 · 6.1
PackingGroup: III
HS Code: 29049090 · 29049090
Storage Class: 6.1 A · 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
Hazard Classifications: 2 OralEye · Acute Tox. 2 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H300 (81.6%): Fatal if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 2 (81.6%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 2811
hs_code: 29049090
risk_code: 36/37/38-20/21/22-25
Signal word: Danger
Symbol(GHS): GHS06
hazard_code: Xn,Xi,T
hazard_note: Irritant
safety_code: 36/37/39-26-45-37/39
hazard_class: 6.1
Storage Class: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
packing_group: III
target organs: Respiratory system
Hazard statements: H300-H315-H319-H335
Limited Quantities: 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Hazard Classifications: Acute Tox. 2 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P301+P310+P330-P302+P352-P305+P351+P338