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2-ニトロ-2-クロロプロパン

2-Chloro-2-nitropropane

HCID 11673
ノート反応
基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
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基本情報

CAS
594-71-8
標準SMILES
CC(C)(Cl)[N+](=O)[O-]
InChIKey
JQYFSFNSNVRUPY-UHFFFAOYSA-N
分子式
C3H6ClNO2
平均分子量
123.54 g/mol
単同位体質量
123.0087061

概要

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

名称と識別子

優先名称
2-Chloro-2-nitropropane
IUPAC
2-chloro-2-nitropropane
現地名
2-ニトロ-2-クロロプロパン
英語名
2-Chloro-2-nitropropane
分子式
C3H6ClNO2
分子量
123.54

名称と別名

2-CHLORO-2-NITROPROPANE594-71-8Propane, 2-chloro-2-nitro-2-chloro-2-nitro-propaneDTXSID702479847BO4I4HL2NSC-3642CCRIS 5998HSDB 1407NSC 3642EINECS 209-853-5UNII-47BO4I4HL2
名称をさらに表示
2-ニトロ-2-クロロプロパン2-クロロ-2-ニトロプロパン2-chloro-2-nitro-propan2-Nitro-2-chloropropane
AI3-15635NSC3642WLN: WNXG1&1MLS002454363CHEMBL442666DTXCID704798SCHEMBL6703204CHEBI:229348

データベース識別子

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

物性

構造計算による物性

XLogP
1.3
極性表面積
45.8 Ų
水素結合供与体数
0
水素結合受容体数
2
回転可能結合数
0
重原子数
7
形式電荷
0
複雑度
85.4

実験および物理化学的性質

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

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

1.230 g/cu cm @ 19 °C

Color/FormLIQUID
Solubility · 4 件

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 件

135 °F (NTP, 1992)

57 °C

135 °F (57 °C) (OPEN CUP)

Boiling Point · 3 件

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

134 °C (DECOMPOSES)

Boiling point = 57 °C @ 50 mm Hg

Vapor Density · 2 件

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

4.3 (AIR= 1)

Vapor Pressure · 3 件

22.3 mmHg at 77 °F (NTP, 1992)

安全と法規制

安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

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 件

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.

Reactive GroupHalogenated Organic Compounds

化学と産業

用途と製造

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

応用分野

一般的な説明Clear colorless to slightly yellow liquid.

上流・下流製品情報

下流製品

2-イソプロピリデンマロン酸ジエチル3-メチル-2-ブテン酸tert-ブチル

サプライヤー3 社

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]

関連反応

0 件
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現在のフィルター条件では反応記録がありません。

化合物ノート

読み込み中…

このページの内容基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート

8.5 [mmHg]

8.5 MM HG @ 25 °C

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

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

Colorless to slightly yellow liquid; [CAMEO]

Other Experimental Properties · 2 件

SLIGHT DECOMPOSITION @ 57 °C @ 50 MM HG

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

物理化学的性質

融点
-21.5 °C · -21.5°C
沸点
132 °C · 132 °C
比重(密度)
1.2 · 1.2000
屈折率
1.4378 · 1.4378 (estimate)
闪点
37 ° · 37°
安定性
安定していますが、急速に加熱すると不安定です。可燃性。強力な酸化剤、アルミニウム粉末、カリウムとは相容れない。
EPAの化学物質情報
2 · 2-Chloro-2-nitropropane (594-71-8)

化学的性質

化学的特性colourless to slightly yellow liquid

Reactivity Alerts
Highly 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 件

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%)

安全と保護具

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

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 件

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 件

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 件

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.

毒性情報

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

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 件

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

安全データ

tsca
TSCA listed
ridadr
UN1993
hazard_class
3
有毒物質データの
594-71-8(Hazardous Substances Data)