CAS 3862-73-5 2,3,4-Trifluoroaniline (HCID 77468)

Names & identifiers

Preferred name: 2,3,4-Trifluoroaniline
IUPAC: 2,3,4-trifluoroaniline
English name: 2,3,4-Trifluorobenzenamine
Molecular formula: C6H4F3N
Molecular weight: 147.1

Names & synonyms

2,3,4-TrifluoroanilineBenzenamine, 2,3,4-trifluoro-Aniline, 2,3,4-trifluoro-BRN 3245609Benzenamine, 2,3,4-trifluoro-C198DTXSID60959469EC 407-170-94-12-00-01114 (Beilstein Handbook Reference)RefChem:81310DTXCID001387346407-170-9627-409-2

Show more names

2,3,4,Triflouro Aniline2,3,4-TFATRIFLUOROANILINE4-Trifluoroaniline2,3,4-Trifluorobenze2,3,4-trifluoroaniune2,3,4-trifluoro-anilin2,3,4-Trifluoroaniline99%

WRDGNXCXTDDYBZ-UHFFFAOYSA-N3862-73-52,3,4-Trifluorobenzenamine2,3,4-trifluoranilineMFCD000117372,3,4-trifluorophenylamine2,3,4-Trifluoro-phenylamine2,3,4-trifluoro aniline

Database identifiers

CAS: 3862-73-5
PubChem CID: 77468
DTXSID: DTXSID60959469
EC Number: 407-170-9、627-409-2
Nikkaji: J133.179E

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 120

Experimental & physicochemical properties

LogP2.14

Physicochemical properties

Melting point: 14 · 14-15°C
Boiling point: 92 °C/48 · 92 °C/48 mmHg (lit.)
Density: 1.393 g/mL · 1.393 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.486(lit.)
Flash point: 155 °F · 155 °F
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 2.25 · 2.25±0.10(Predicted)
form: A liquid
Specific Gravity: 1.393 · 1.393
color: Colorless to Light yellow to Light orange
BRN: 3245609 · 3245609
InChI: InChI=1S/C6H4F3N/c7-3-1-2-4(10)6(9)5(3)8/h1-2H,10H2
InChIKey: WRDGNXCXTDDYBZ-UHFFFAOYSA-N
SMILES: C1(N)=CC=C(F)C(F)=C1F
CAS DataBase Reference: 3862 · 3862-73-5(CAS DataBase Reference)
EWG's Food Scores: 1 · 1-2
EPA Substance Registry System: 2 · Benzenamine, 2,3,4-trifluoro-C198 (3862-73-5)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07,GHS08,GHS09
Signal word: Danger
Hazard statements: 302 · H302+H312-H315-H318-H373-H411
Precautionary statements: 273 · P273-P280-P301+P312-P302+P352+P312-P305+P351+P338-P314
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xn,N,Xi
Risk Statements: 21 · 21/22-38-41-48/22-51/53
Safety Statements: 23 · 23-26-36/37/39-61
RIDADR: 3082 · UN 3082 9/PG 3
WGK Germany: 3 · 3
RTECS: 1211500 · CY1211500
F: 9 · 9
Hazard Note: Irritant
HazardClass: 9 · 9
PackingGroup: III
HS Code: 29214210 · 29214210
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 OralAquatic Chronic 2Eye Dam. 1Skin Irrit. 2STOT RE 2
Toxicity: 50 orl-rat: · LD50 orl-rat: 699 mg/kg JACTDZ 1,61,90
REACH Registrations: Inactive
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 · 6 items

Danger

H302: Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Hazard information

Regulatory InformationStatus: Cease Manufacture Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/9710

Hazard Classes and Categories · 4 items

Acute Tox. 4 (100%)

Acute toxicity - category 4

Acute Tox. 4 *

Safety data

F: 9
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
rtecs: CY1211500
ridadr: UN 3082 9/PG 3
hs_code: 29214210
Toxicity: LD50 orl-rat: 699 mg/kg JACTDZ 1,61,90
risk_code: 21/22-38-41-48/22-51/53
Signal word: Danger
Symbol(GHS): GHS05,GHS07,GHS08,GHS09
hazard_code: Xn,N,Xi
hazard_note: Irritant
safety_code: 23-26-36/37/39-61
hazard_class: 9
Storage Class: 10 - Combustible liquids
packing_group: III
Hazard statements: H302+H312-H315-H318-H373-H411
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)
REACH Registrations: Inactive
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 OralAquatic Chronic 2Eye Dam. 1Skin Irrit. 2STOT RE 2
Precautionary statements: P273-P280-P301+P312-P302+P352+P312-P305+P351+P338-P314