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3366-61-8

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Basic Information
CAS No.: 3366-61-8
Name: N-acetylbenzidine
Article Data: 12
Molecular Structure:
Molecular Structure of 3366-61-8 (N-acetylbenzidine)
Formula: C14H14 N2 O
Molecular Weight: 226.278
Synonyms: Acetanilide,4'-(p-aminophenyl)- (6CI,7CI,8CI); Acetanilide, p-(p-aminophenyl)- (3CI);4-Acetamido-4'-aminobiphenyl; 4-Acetylamino-4'-aminobiphenyl; Acetylbenzidine;Monoacetylbenzidine; N-Acetylbenzidine; NSC 508901;[1,1'-Biphenyl]-4,4'-diamine, N-acetyl-
Density: 1.19g/cm3
Melting Point: 199°C
Boiling Point: 465.4°Cat760mmHg
Flash Point: 235.3°C
Safety: Moderately toxic by ingestion. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
PSA: 55.12000
LogP: 3.54840
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Chemistry

Product Name: N-Acetylbenzidine (CAS NO.3366-61-8)


Molecular Formula: C14H14N2O
Molecular Weight: 226.30g/mol
Mol File: 3366-61-8 .mol
Boiling point: 465.4 °C at 760 mmHg
Flash Point: 235.3 °C
Density: 1.19 g/cm3
Surface Tension: 51.9 dyne/cm
Enthalpy of Vaporization: 72.7 kJ/mol
Vapour Pressure: 7.72E-09 mmHg at 25°C
XLogP3-AA: 1.7
H-Bond Donor: 2
H-Bond Acceptor: 2
Structure Descriptors of N-Acetylbenzidine (CAS NO.3366-61-8):
  IUPAC Name: N-[4-(4-aminophenyl)phenyl]acetamide
  Canonical SMILES: CC(=O)NC1=CC=C(C=C1)C2=CC=C(C=C2)N
  InChI: InChI=1S/C14H14N2O/c1-10(17)16-14-8-4-12(5-9-14)11-2-6-13(15)7-3-11/h2-9H,15H2,1H3,(H,16,17) 
  InChIKey: DZQXBXZZSKPMDV-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

mma-sat 5 µg/plate

     ENMUDM    Environmental Mutagenesis. 6 (1984),145.
2.    

dnd-rat-ipr 25 mg/kg

     CNREA8    Cancer Research. 42 (1982),2678.
3.    

dnd-rat:lvr 100 mg/L

     CRNGDP    Carcinogenesis. 5 (1984),407.
4.    

orl-rat LD50:1630 mg/kg

     28ZPAK    Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku Marhold, J.V.,Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha,Czechoslovakia.: 1972,131.

Safety Profile

Moderately toxic by ingestion. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.

Specification

 N-Acetylbenzidine ,its CAS NO. is 3366-61-8 ,the synonyms is (1,1'-Biphenyl)-4,4'-diamine, N-acetyl- ; 3-13-00-00437 (Beilstein Handbook Reference) ; 4'-(p-Aminophenyl)acetanilide ; 4'-Acetamidobenzidine ; 4-Acetamido-4'-aminobiphenyl ; 4-Acetylamino-4'-aminobiphenyl ; Acetamide, N-(4'-amino(1,1'-biphenyl)-4-yl)- ; BRN 2806506 ; Benzidine, N-acetyl- ; CCRIS 5166 ; Monoacetylbenzidine ; NSC 508901 .