Product Name

  • Name

    PYRROLNITRIN

  • EINECS
  • CAS No. 1018-71-9
  • Article Data13
  • CAS DataBase
  • Density 1.523g/cm3
  • Solubility
  • Melting Point 124.5°
  • Formula C10H6 Cl2 N2 O2
  • Boiling Point 410.5°Cat760mmHg
  • Molecular Weight 257.076
  • Flash Point 202.1°C
  • Transport Information
  • Appearance
  • Safety Poison by intraperitoneal route. Moderately toxic by ingestion and subcutaneous routes. When heated to decomposition it emits very toxic fumes of Cl− and NOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 1018-71-9 (PYRROLNITRIN)
  • Hazard Symbols
  • Synonyms Pyrrole,3-chloro-4-(3-chloro-2-nitrophenyl)- (7CI,8CI);3-Chloro-4-(3-chloro-2-nitrophenyl)pyrrole; 3-Chloro-4-(3'-chloro-2'-nitrophenyl)pyrrole;NSC 107654; NSC 637277; PN; Pyroace; Pyrrolnitrin; Pyrrolnitrine
  • PSA 61.61000
  • LogP 4.41990

3-Chloro-4-(3-chloro-2-nitrophenyl) pyrrole Chemical Properties

Molecule structure of 3-Chloro-4-(3-chloro-2-nitrophenyl) pyrrole (CAS NO.1018-71-9) :

IUPAC Name: 3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole 
Molecular Weight: 257.07284 g/mol
Molecular Formula: C10H6Cl2N2O2 
Density: 1.523 g/cm3 
Melting Point: 124.5 deg C
Boiling Point: 410.5 °C at 760 mmHg 
Flash Point: 202.1 °C
Index of Refraction: 1.65
Molar Refractivity: 61.61 cm3
Molar Volume: 168.7 cm3
Polarizability: 24.42*10-24 cm3
Surface Tension: 58.8 dyne/cm 
Enthalpy of Vaporization: 63.71 kJ/mol
Vapour Pressure: 1.42E-06 mmHg at 25 °C 
log P (octanol-water): 3.750
Atmospheric OH Rate Constant: 3.28E-11 cm3/molecule-sec
XLogP3: 4.4
H-Bond Donor: 1
H-Bond Acceptor: 2
Rotatable Bond Count: 1
Exact Mass: 255.980633
MonoIsotopic Mass: 255.980633
Topological Polar Surface Area: 58.9
Heavy Atom Count: 16
Complexity: 272
Canonical SMILES: C1=CC(=C(C(=C1)Cl)[N+](=O)[O-])C2=CNC=C2Cl
InChI: InChI=1S/C10H6Cl2N2O2/c11-8-3-1-2-6(10(8)14(15)16)7-4-13-5-9(7)12/h1-5,13H
InChIKey: QJBZDBLBQWFTPZ-UHFFFAOYSA-N
EINECS: 213-812-7

3-Chloro-4-(3-chloro-2-nitrophenyl) pyrrole Toxicity Data With Reference

1.    

ipr-rat LD50:68 mg/kg

     85ERAY    Antibiotics: Origin, Nature, and Properties. 3 (1978),1479.
2.    

orl-mus LD50:1000 mg/kg

     85ERAY    Antibiotics: Origin, Nature, and Properties. 3 (1978),1479.
3.    

ipr-mus LD50:680 mg/kg

     MEIEDD    Merck Index. 10 (1983),1157.
4.    

scu-mus LD50:2000 mg/kg

     85GDA2    CRC Handbook of Antibiotic Compounds. 5 (1981),44.
5.    

ipr-rbt LD50:105 mg/kg

     85ERAY    Antibiotics: Origin, Nature, and Properties. 3 (1978),1479.

3-Chloro-4-(3-chloro-2-nitrophenyl) pyrrole Safety Profile

Poison by intraperitoneal route. Moderately toxic by ingestion and subcutaneous routes. When heated to decomposition it emits very toxic fumes of Cl− and NOx.

3-Chloro-4-(3-chloro-2-nitrophenyl) pyrrole Specification

 3-Chloro-4-(3-chloro-2-nitrophenyl) pyrrole (CAS NO.1018-71-9) is also called 3-Chloro-4-(2'-nitro-3'-chlorophenyl)pyrrole ; 5-20-07-00373 (Beilstein Handbook Reference) ; BRN 1287646 ; FR 005759 ; NSC 107654 ; Pirrolnitrina [INN-Spanish] ; Pyroace ; Pyrrolnitrine [INN-French] ; Pyrrolnitrinum [INN-Latin] ; 1H-Pyrrole, 3-chloro-4-(3-chloro-2-nitrophenyl)- ; Pyrrole, 3-chloro-4-(3-chloro-2-nitrophenyl)- ; Pyrrolnitrin . 3-Chloro-4-(3-chloro-2-nitrophenyl) pyrrole (CAS NO.1018-71-9) is moderate toxic. It is flammable. It will produce toxic nitrogen oxide and nitric oxide fumes by heat. So the storage environment should be ventilate, low-temperature and dry.

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