CAS 1018-71-9|Pyrrolnitrin

Introduction：Basic information about CAS 1018-71-9|Pyrrolnitrin, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Pyrrolnitrin BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
5. Safety Information
6. Customs
7. Synonyms

Common Name	Pyrrolnitrin
CAS Number	1018-71-9	Molecular Weight	257.07300
Density	1.523g/cm3	Boiling Point	410.5ºC at 760mmHg
Molecular Formula	C₁₀H₆Cl₂N₂O₂	Melting Point	/
MSDS	ChineseUSA	Flash Point	202.1ºC

Names

Name	pyrrolnitrin
Synonym	More Synonyms

Pyrrolnitrin BiologicalActivity

Description	Pyrrolnitrin is an antibiotic isolated from Pseudomonas pyrrocinia. Pyrrolnitrin shows a broad spectrum of antibiotic activity against fungi, yeast and gram-positive bacteria[1].
Related Catalog	Research Areas >>InfectionSignaling Pathways >>Anti-infection >>FungalSignaling Pathways >>Anti-infection >>Bacterial
Target	Target: fungi, yeast and gram-positive bacteria[1]
In Vitro	Pyrrolnitrin (0-100 μg/ml) shows antibiotic activities against various bacteria and fungi with different MIC values. It against Staphylococcus aureus, Mycobacterium, Bacillus subtillis, Candida albicans, Aspergillus niger, and Trichophyton rubrum with MIC values of 50 μg/ml, 100 μg/ml, 0.78 μg/ml, 10 μg/ml, 12.5 μg/ml, and 1 μg/ml, respectively[1]. Pyrrolnitrin (0-100 μg/ml) exhibits antimicrobial effect in a microtitre plate assay. It against Arthrobacter oxydans ATCC 14358, Bacillus coagulans ATCC 7050, Bacillus licheniformis ATCC 14580, Bacillus subtilis ATCC 6051, and Bacillus thuringiensis ATCC 10792 with MIC of 6.25 μg/ml[2].
References	[1]. K H van Pée, et al. Biosynthesis of Pyrrolnitrin and Other Phenylpyrrole Derivatives by Bacteria. Nat Prod Rep. 2000 Apr;17(2):157-64. [2]. N el-Banna, et al. Pyrrolnitrin From Burkholderia Cepacia: Antibiotic Activity Against Fungi and Novel Activities Against Streptomycetes.J Appl Microbiol. 1998 Jul;85(1):69-78. [3]. R S Gordee, et al.Systemic Antifungal Activity of Pyrrolnitrin.Appl Microbiol. 1969 May;17(5):690-4.

Chemical & Physical Properties

Density	1.523g/cm3
Boiling Point	410.5ºC at 760mmHg
Molecular Formula	C₁₀H₆Cl₂N₂O₂
Molecular Weight	257.07300
Flash Point	202.1ºC
Exact Mass	255.98100
PSA	61.61000
LogP	4.41990
Vapour Pressure	1.42E-06mmHg at 25°C
Index of Refraction	1.65
InChIKey	QJBZDBLBQWFTPZ-UHFFFAOYSA-N
SMILES	O=[N+]([O-])c1c(Cl)cccc1-c1c[nH]cc1Cl

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UX9450000

CHEMICAL NAME :: Pyrrole, 3-chloro-4-(3-chloro-2-nitrophenyl)-

CAS REGISTRY NUMBER :: 1018-71-9

BEILSTEIN REFERENCE NO. :: 1287646

LAST UPDATED :: 199612

DATA ITEMS CITED :: 7

MOLECULAR FORMULA :: C10-H6-Cl2-N2-O2

MOLECULAR WEIGHT :: 257.08

WISWESSER LINE NOTATION :: T5MJ CG DR CG BNW

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >2 gm/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Gastrointestinal - relaxation (isolated tissue)

REFERENCE :: JAJAAA Journal of Antibiotics, Series A. (Tokyo, Japan) V.6-20, 1953-67. For publisher information, see JANTAJ. Volume(issue)/page/year: 18,211,1965

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 68 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Gastrointestinal - relaxation (isolated tissue)

REFERENCE :: JAJAAA Journal of Antibiotics, Series A. (Tokyo, Japan) V.6-20, 1953-67. For publisher information, see JANTAJ. Volume(issue)/page/year: 18,211,1965

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >2400 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JAJAAA Journal of Antibiotics, Series A. (Tokyo, Japan) V.6-20, 1953-67. For publisher information, see JANTAJ. Volume(issue)/page/year: 18,211,1965

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1 gm/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Gastrointestinal - relaxation (isolated tissue)

REFERENCE :: JAJAAA Journal of Antibiotics, Series A. (Tokyo, Japan) V.6-20, 1953-67. For publisher information, see JANTAJ. Volume(issue)/page/year: 18,211,1965

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 86 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Gastrointestinal - relaxation (isolated tissue)

REFERENCE :: JAJAAA Journal of Antibiotics, Series A. (Tokyo, Japan) V.6-20, 1953-67. For publisher information, see JANTAJ. Volume(issue)/page/year: 18,211,1965

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 2 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: 85GDA2 "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980- Volume(issue)/page/year: 5,44,1981

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 105 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Gastrointestinal - relaxation (isolated tissue)

REFERENCE :: JAJAAA Journal of Antibiotics, Series A. (Tokyo, Japan) V.6-20, 1953-67. For publisher information, see JANTAJ. Volume(issue)/page/year: 18,211,1965

Safety Information

HS Code	2933990090

Customs

HS Code	2933990090
Summary	2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Synonyms

Pyrrolnitrine

Pyrrolnitrin

Pirrolnitrina

Pyroace

3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole

Pyrrolnitrinum

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