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Basic Information
CAS No.: 86-72-6
Name: 4-(3-CARBAZOLYLAMINO)PHENOL
Molecular Structure:
Molecular Structure of 86-72-6 (4-(3-CARBAZOLYLAMINO)PHENOL)
Formula: C18H14 N2 O
Molecular Weight: 274.322
Synonyms: Phenol,p-(carbazol-3-ylamino)- (6CI,7CI,8CI); C.I. Vat Blue 47; Hidrotin Blue 2R;Hidrotin Blue 3R; Hidrotin Blue R; Hydron Blue 3RN; NSC 75903
Density: 1.368g/cm3
Boiling Point: 536°C at 760 mmHg
Flash Point: 277.9°C
Safety: A skin and eye irritant. When heated to decomposition it emits toxic fumes of NOx.
PSA: 48.05000
LogP: 4.84330
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Chemistry

Molecule structure of 4-(3-Carbazolylamino)phenol (CAS NO.86-72-6) :

IUPAC Name: 4-(9H-carbazol-3-ylamino)phenol 
Molecular Weight: 274.31656 g/mol
Molecular Formula: C18H14N2O 
Density: 1.368 g/cm3 
Boiling Point: 536 °C at 760 mmHg 
Flash Point: 277.9 °C
Molar Volume: 200.4 cm3
Polarizability: 34.73*10-24 cm3
Surface Tension: 71.4 dyne/cm 
Enthalpy of Vaporization: 84.3 kJ/mol
Vapour Pressure: 4.22E-12 mmHg at 25 °C
XLogP3: 4.9
H-Bond Donor: 3
H-Bond Acceptor: 2
Rotatable Bond Count: 2
Tautomer Count: 4
Exact Mass: 274.110613
MonoIsotopic Mass: 274.110613
Topological Polar Surface Area: 48.1
Heavy Atom Count: 21
Complexity: 353
Canonical SMILES: C1=CC=C2C(=C1)C3=C(N2)C=CC(=C3)NC4=CC=C(C=C4)O
InChI: InChI=1S/C18H14N2O/c21-14-8-5-12(6-9-14)19-13-7-10-18-16(11-13)15-3-1-2-4-17(15)20-18/h1-11,19-21H
InChIKey: STRAHSCTRLRZNU-UHFFFAOYSA-N
EINECS of 4-(3-Carbazolylamino)phenol (CAS NO.86-72-6) : 201-693-4

Toxicity Data With Reference

1.    

skn-rbt 500 mg/24H MLD

     85JCAE    Prehled Prumyslove Toxikologie; Organicke Latky Marhold, J.,Prague, Czechoslovakia.: Avicenum,1986,825.
2.    

eye-rbt 100 mg/24H MOD

     85JCAE    Prehled Prumyslove Toxikologie; Organicke Latky Marhold, J.,Prague, Czechoslovakia.: Avicenum,1986,825.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

A skin and eye irritant. When heated to decomposition it emits toxic fumes of NOx.

Specification

 4-(3-Carbazolylamino)phenol (CAS NO.86-72-6) is also called 3-(4'-Hydroxyfenyl)aminokarbazol [Czech] ; 4-22-00-04937 (Beilstein Handbook Reference) ; BRN 0247481 ; C.I. Vat Blue 47 ; Carbazole, 3-(p-hydroxyanilino)- ; Hidrotin Blue 2R ; Hidrotin Blue 3R ; Hidrotin Blue R ; Hydron Blue 3RN ; NSC 75903 ; Phenol, 4-(3-carbazolylamino)- ; R-Base [Czech] .