CAS 16588-02-6|2-Chloro-5-nitrobenzonitrile

Introduction：Basic information about CAS 16588-02-6|2-Chloro-5-nitrobenzonitrile, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
4. Safety Information
5. Articles2
6. Synonyms

Common Name	2-Chloro-5-nitrobenzonitrile
CAS Number	16588-02-6	Molecular Weight	182.564
Density	1.5±0.1 g/cm3	Boiling Point	300.3±27.0 °C at 760 mmHg
Molecular Formula	C₇H₃ClN₂O₂	Melting Point	105-108ºC
MSDS	ChineseUSA	Flash Point	135.4±23.7 °C
Symbol	GHS07	Signal Word	Warning

Names

Name	2-Chloro-5-nitrobenzonitrile
Synonym	More Synonyms

Chemical & Physical Properties

Density	1.5±0.1 g/cm3
Boiling Point	300.3±27.0 °C at 760 mmHg
Melting Point	105-108ºC
Molecular Formula	C₇H₃ClN₂O₂
Molecular Weight	182.564
Flash Point	135.4±23.7 °C
Exact Mass	181.988312
PSA	69.61000
LogP	1.79
Vapour Pressure	0.0±0.6 mmHg at 25°C
Index of Refraction	1.599
InChIKey	ZGILLTVEEBNDOB-UHFFFAOYSA-N
SMILES	N#Cc1cc([N+](=O)[O-])ccc1Cl

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DI3040000

CHEMICAL NAME :: Benzonitrile, 2-chloro-5-nitro-

CAS REGISTRY NUMBER :: 16588-02-6

LAST UPDATED :: 199209

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C7-H3-Cl-N2-O2

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 :: 3200 mg/kg

TOXIC EFFECTS :: Behavioral - tremor Behavioral - convulsions or effect on seizure threshold

REFERENCE :: ZAARAM Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz. (Darmstadt, Fed. Rep. Ger.) V.1-25, 1951-75. Volume(issue)/page/year: 19,225,1969

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 240 mg/kg

TOXIC EFFECTS :: Behavioral - tremor Behavioral - convulsions or effect on seizure threshold

REFERENCE :: ZAARAM Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz. (Darmstadt, Fed. Rep. Ger.) V.1-25, 1951-75. Volume(issue)/page/year: 19,225,1969

Safety Information

Symbol	GHS07
Signal Word	Warning
Hazard Statements	H312 + H332-H315-H319-H335
Precautionary Statements	P261-P280-P305 + P351 + P338
Personal Protective Equipment	dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes	Xi:Irritant;
Risk Phrases	R36/37/38
Safety Phrases	S26-S37/39
RIDADR	UN 3276
WGK Germany	3
RTECS	DI3040000

Articles2

Enzyme kinetics and substrate selectivities of rat glutathione S-transferase isoenzymes towards a series of new 2-substituted 1-chloro-4-nitrobenzenes.

Xenobiotica 26(2) , 143-55, (1996)

1. Four different rat glutathione S-transferase (GST) isoenzymes, belonging to three different classes, were examined for their GSH conjugating capacity towards 11 2-substituted 1-chloro-4-nitrobenzen...

Online biochemical detection of glutathione-S-transferase P1-specific inhibitors in complex mixtures.

J. Biomol. Screen. 12(3) , 396-405, (2007)

A high-resolution screening (HRS) technology is described, which couples 2 parallel enzyme affinity detection (EAD) systems for substrates and inhibitors of rat cytosolic glutathione-S-transferases (c...

Synonyms

2-Chlor-5-nitrobenzolcarbonitril

2-chlor-5-nitrobenzonitrile

2-Chloro-5-nitrobenzenenitrile

3-cyano-4-chloronitrobenzene

MFCD00007292

4-chloro-3-cyanonitrobenzene

1-CHLORO-2-CYANO-4-NITROBENZENE

2-chlor-5-nitrobenzonitril

2-chloro-5-nitro-benzonitrile

2-cyano-4-nitrochlorobenzene

EINECS 240-643-6

2-chloro-5-nitro-benzonitril

Benzonitrile, 2-chloro-5-nitro-

4-Chloro-3-cyano-1-nitrobenzene

5-Nitro-2-chlorobenzonitrile

2-chloro-3-cyano-5-nitrobenzene

BENZONITRILE,2-CHLORO-5-NITRO

2-Chloro-5-nitrobenzonitrile

2-Chloro-1-cyano-5-nitrobenzene

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