CAS 1535-75-7 2-(Trifluoromethoxy)aniline (HCID 73754)

Names & identifiers

Preferred name: 2-(Trifluoromethoxy)aniline
IUPAC: 2-(trifluoromethoxy)aniline
English name: 2-(Trifluoromethoxy)aniline
Molecular formula: C7H6F3NO
Molecular weight: 177.12

Names & synonyms

2-(Trifluoromethoxy)aniline1535-75-72-trifluoromethoxyanilineEINECS 216-257-9DTXSID20165342RefChem:462463DTXCID3087833216-257-9Benzenamine, 2-(trifluoromethoxy)-2-Trifluoromethoxy-phenylamine2-(Trifluoromethoxy)benzenamineMFCD00035959

Show more names

2-(Trifluoromethoxy)CL056O-AminotrifluoromeTIMTEC-BB SBB006602TrifluoroMethoxy)anilin2-(TrifloroMethoxy)aniline

o-trifluoromethoxyaniline2-(trifluoromethoxy)phenylamine(2-(trifluoromethoxy)phenyl)amine[2-(trifluoromethoxy)phenyl]amineo-(trifluoromethoxy)anilinealpha,alpha,alpha-Trifluoro-o-anisidineC6X2TPD2ESa,a,a-Trifluoro-o-anisidine

Database identifiers

CAS: 1535-75-7
PubChem CID: 73754
DTXSID: DTXSID20165342
UNII: C6X2TPD2ES
EC Number: 216-257-9
Nikkaji: J206.759E

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 35.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 148

Physicochemical properties

Boiling point: 61 · 61-63 °C (15 mmHg)
Density: 1 · 1,301 g/cm3
refractive index: 1.4614 · 1.4614-1.4634
Flash point: 54 °C · 54°C
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: Chloroform (Slightly), Ethyl Acetate (Slightly)
pka: 2.45 · 2.45±0.10(Predicted)
form: Liquid
Specific Gravity: 1.31 · 1.31
color: Clear colorless to yellow
BRN: 2803814 · 2803814
Stability: Hygroscopic
InChI: InChI=1S/C7H6F3NO/c8-7(9,10)12-6-4-2-1-3-5(6)11/h1-4H,11H2
InChIKey: ZFCOUBUSGHLCDT-UHFFFAOYSA-N
SMILES: C1(N)=CC=CC=C1OC(F)(F)F
CAS DataBase Reference: 1535 · 1535-75-7(CAS DataBase Reference)
NIST Chemistry Reference: 2 · Benzenamine, 2-(trifluoromethoxy)-(1535-75-7)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Warning
Hazard statements: 226 · H226-H302+H312+H332-H315-H319-H335
Precautionary statements: 210 · P210-P280-P301+P312-P303+P361+P353-P304+P340+P312-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xn,T,Xi
Risk Statements: 36 · 36/37/38-20/21/22-10
Safety Statements: 36 · 36/37/39-26-45-16-36
RIDADR: 1993 · 1993
WGK Germany: 3 · 3
Hazard Note: Toxic
HazardClass: 3 · 3
PackingGroup: III
HS Code: 29222990 · 29222990
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (89.6%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (89.6%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: 1993
hs_code: 29222990
risk_code: 36/37/38-20/21/22-10
Signal word: Warning
Symbol(GHS): GHS02,GHS07
hazard_code: Xn,T,Xi
hazard_note: Toxic
safety_code: 36/37/39-26-45-16-36
hazard_class: 3
Storage Class: 3 - Flammable liquids
packing_group: III
target organs: Respiratory system
Hazard statements: H226-H302+H312+H332-H315-H319-H335
Limited Quantities: 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
Precautionary statements: P210-P280-P301+P312-P303+P361+P353-P304+P340+P312-P305+P351+P338