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2-Chlor-2-nitropropan

2-Chloro-2-nitropropane

HCID 11673
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Grundinformationen

CAS
594-71-8
Standard-SMILES
CC(C)(Cl)[N+](=O)[O-]
InChIKey
JQYFSFNSNVRUPY-UHFFFAOYSA-N
Summenformel
C3H6ClNO2
Durchschnittliche Molmasse
123,54 g/mol
Monoisotopische Masse
123,0087061

Überblick

2-chloro-2-nitropropane is a clear colorless to slightly yellow liquid. (NTP, 1992)

Namen und Bezeichner

Bevorzugter Name
2-Chloro-2-nitropropane
IUPAC
2-chloro-2-nitropropane
Lokaler Name
2-Chlor-2-nitropropan
Englischer Name
2-Chloro-2-nitropropane
Summenformel
C3H6ClNO2
Molmasse
123.54

Namen und Synonyme

2-CHLORO-2-NITROPROPANE594-71-8Propane, 2-chloro-2-nitro-2-chloro-2-nitro-propaneDTXSID702479847BO4I4HL2NSC-3642CCRIS 5998HSDB 1407NSC 3642EINECS 209-853-5UNII-47BO4I4HL2
Weitere Namen anzeigen
2-chloro-2-nitro-propan2-Nitro-2-chloropropane
AI3-15635NSC3642WLN: WNXG1&1MLS002454363CHEMBL442666DTXCID704798SCHEMBL6703204CHEBI:229348

Datenbank-Bezeichner

CAS
594-71-8
PubChem CID
11673
DTXSID
DTXSID7024798
ChEMBL
CHEMBL442666
ChEBI
CHEBI:229348
UNII
47BO4I4HL2
EC Number
209-853-5
Nikkaji
J2.708A

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,3
Polarare Oberfläche (TPSA)
45,8 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
0
Schwere Atome
7
Formalladung
0
Komplexität
85,4

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Nitros, Aliphatic
SpringerMaterials PropertiesDielectric constant
Density · 2 Einträge

1.197 at 68 °F (NTP, 1992) - Denser than water; will sink

1.230 g/cu cm @ 19 °C

Color/FormLIQUID
Solubility · 4 Einträge

less than 1 mg/mL at 70 °F (NTP, 1992)

SOL IN OILS; INSOL IN POTASSIUM HYDROXIDE

SOL IN ALCOHOL, ETHER, CARBON TETRACHLORIDE, GLYCEROL

0.5 ML SOL IN 100 ML WATER @ 20 °C

Flash Point · 3 Einträge

135 °F (NTP, 1992)

57 °C

135 °F (57 °C) (OPEN CUP)

Boiling Point · 3 Einträge

273 °F at 760 mmHg (Decomposes) (NTP, 1992)

134 °C (DECOMPOSES)

Boiling point = 57 °C @ 50 mm Hg

Vapor Density · 2 Einträge

4.26 (NTP, 1992) - Heavier than air; will sink (Relative to Air)

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P280, P301+P317, P303+P361+P353, P305+P351+P338, P330, P337+P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
DOT LabelFlammable Liquid
Fire HazardsThis chemical is combustible. (NTP, 1992)
Fire PotentialMODERATE, VIA HEAT, FLAME & OXIDIZERS.
Health HazardsSYMPTOMS: Symptoms following exposure to this compound may include eye irritation and central nervous system depression.
Hazards Summary · 1 Eintrag

Highly poisonous via oral, inhalation, or dermal routes; Toxicity expected to be similar to that of 1-chloro-1-nitropropane; At lethal doses, animals have acute pulmonary edema, and jaundice reported in animal that survived for 8 days after a lethal dose; [HSDB] Acts as general anesthetic in lethal dose inhalation studies of mice; [RTECS] May cause eye irritation and CNS depression; [CAMEO] An eye irritant; May cause skin sensitization based on QSAR modeling; Harmful by ingestion, inhalation, or skin absorption; [Aldrich MSDS] See 1-Chloro-1-nitropropane.

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationPropane, 2-chloro-2-nitro-: ACTIVE

Vor- und nachgelagerte Produkte

Nachgelagerte Produkte

Diethylisopropylidenmalonattert-Butyl-3-methyl-2-butenoat

Anbieter3 Anbieter

陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]

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4.3 (AIR= 1)

Vapor Pressure · 3 Einträge

22.3 mmHg at 77 °F (NTP, 1992)

8.5 [mmHg]

8.5 MM HG @ 25 °C

Refractive IndexINDEX OF REFRACTION: 1.4378 @ 19 °C/D
Physical Description · 2 Einträge

2-chloro-2-nitropropane is a clear colorless to slightly yellow liquid. (NTP, 1992)

Colorless to slightly yellow liquid; [CAMEO]

Other Experimental Properties · 2 Einträge

SLIGHT DECOMPOSITION @ 57 °C @ 50 MM HG

CONVERSION UNITS: 1 PPM= 5.05 MG/CU M; 1 MG/L= 198 PPM

Physikochemische Eigenschaften

Schmelzpunkt
-21.5 °C · -21.5°C
Siedepunkt
132 °C · 132 °C
Dichte
1.2 · 1.2000
Brechungsindex
1.4378 · 1.4378 (estimate)
Flammpunkt
37 ° · 37°
Stabilität
Stable, but unstable if heated rapidly. Combustible. Incompatible with strong oxidizing agents, powdered aluminium, potassium.
EPA chemische Informationen
2 · 2-Chloro-2-nitropropane (594-71-8)
Reactive Group
Halogenated Organic Compounds
Reactivity AlertsHighly Flammable
Reactivity Profile2-CHLORO-2-NITROPROPANE is incompatible with aluminum powder, potassium, carbon tetrachloride+benzoyl peroxide, and sodium. (NTP, 1992). This compound is stable under normal laboratory conditions, but it is unstable when heated rapidly.
Air and Water ReactionsHighly flammable. Insoluble in water.
NFPA Hazard Classification · 3 Einträge

0 - Materials that, under emergency conditions, would offer no hazard beyond that of ordinary combustible materials.

2 - Materials that must be moderately heated or exposed to relatively high ambient temperatures before ignition can occur. Materials would not under normal conditions form hazardous atmospheres with air, but under high ambient temperatures or under moderate heating could release vapor in sufficient quantities to produce hazardous atmospheres with air.

3 - Materials that in themselves are capable of detonation or explosive decomposition or explosive reaction but that require a strong initiating source or must be heated under confinement before initiation.

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Sicherheit und Schutzausrüstung

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide, or Halon extinguisher. (NTP, 1992)
First Aid · 1 Eintrag

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 Eintrag

SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Disposal Methods · 1 Eintrag

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

Isolation and EvacuationExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Personal Protective Equipment (PPE) · 1 Eintrag

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter.

Toxikologische Informationen

Adverse EffectsNeurotoxin - Other CNS neurotoxin
Human Toxicity Excerpts · 2 Einträge

ALTHOUGH...2-CHLORO-2-NITROPROPANE /HAS/ NOT BEEN STUDIED IN DETAIL, IT WOULD BE EXPECTED THAT...INHALATION TOXICITY WOULD BE QUALITATIVELY & QUANTITATIVELY SIMILAR TO 1-CHLORO-1-NITROPROPANE. NO HUMAN EXPERIENCE HAS BEEN RECORDED.

SUMMARY TOXICITY STATEMENT; ACUTE= HIGH VIA ORAL, INHALATION & SUBCUTANEOUS ROUTES. HIGH= CAPABLE OF CAUSING DEATH OR PERMANENT INJURY DUE TO EXPOSURES OF NORMAL USE; INCAPACITATING & POISONOUS.

Non-Human Toxicity Excerpts · 3 Einträge

SYMPTOMS OF INTOXICATION: ...SIMILAR TO THOSE CAUSED BY SIMPLE NITROPARAFFINS EXCEPT...WEAKNESS & DEPRESSION WERE MORE MARKED THAN INCOORDINATION. ANIMALS... DIED...WITHIN 24 HR WITH EVIDENCE OF PULMONARY EDEMA. ONE WHICH SURVIVED 8 DAYS WAS DEEPLY JAUNDICED & SHOWED OTHER SIGNS OF HEPATITIS.

CONGESTION OF INTESTINAL TRACT, WITH DIARRHEA, WAS MORE MARKED THAN WITH SIMPLE NITROPARAFFINS. LUNG DAMAGE, WITH VARYING DEGREES OF ACUTE EDEMA... PRESENT WITH ORAL ADMIN...MAY HAVE BEEN DUE TO EXCRETION OF THE WHOLE OR PARTLY DECOMPOSED MOLECULE THROUGH LUNGS.

...2-CHLORO-2-NITROPROPANE IS THE LEAST TOXIC FOR RABBITS.../COMPARED WITH 1-CHLORO-1-NITROETHANE, 1,1-DICHLORO-1-NITROETHANE, 1-CHLORO-1-NITROPROPANE/.

Toxicity DataLC50 (mice) = 55,000 mg/m3

Sicherheitsdaten

tsca
TSCA listed
ridadr
UN1993
hazard_class
3
Giftige Stoffe Daten
594-71-8(Hazardous Substances Data)