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1-クロロ-1-ニトロプロパン

1-Chloro-1-nitropropane

HCID 11750
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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
600-25-9
標準SMILES
CCC(Cl)[N+](=O)[O-]
InChIKey
XEKUXTMJEFPWCG-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

1-chloro-1-nitropropane is a colorless liquid. Unpleasant odor. (USCG, 1999)

名称と識別子

優先名称
1-Chloro-1-nitropropane
IUPAC
1-chloro-1-nitropropane
現地名
1-クロロ-1-ニトロプロパン
英語名
1-Chloro-1-nitropropane
分子式
C3H6ClNO2
分子量
123.54

名称と別名

1-CHLORO-1-NITROPROPANE600-25-9Propane, 1-chloro-1-nitro-CCRIS 5997DTXSID2024797HSDB 1543NSC 8409EINECS 209-990-0UNII-0384A8E8EXBRN 1748601AI3-156340384A8E8EX
名称をさらに表示
1-クロロ-1-ニトロプロパン１クロロ１ニトロプロパン1‐クロロ‐1‐ニトロプロパン1-ニトロ-1-クロロプロパンKoraxLanstanNsc8409Wln: wnyg2Chloronitropropane1-Nitro-1-chloropropane1-chloro-1-nitro-propan
NSC-8409DTXCID304797CHLORONITROPROPANE [HSDB]4-01-00-00232 (Beilstein Handbook Reference)Propane, 1chloro1nitroRefChem:753201-Chloro-1-nitropropane (ACGIH:OSHA)209-990-0

データベース識別子

CAS
600-25-9
PubChem CID
11750
DTXSID
DTXSID2024797
ChEMBL
CHEMBL1472040
UNII
0384A8E8EX
EC Number
209-990-0
Nikkaji
J2.728F

物性

構造計算による物性

XLogP
1.6
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
1
重原子数
7
形式電荷
0
複雑度
69.8

実験および物理化学的性質

Chemical ClassesFlammable agents - 2nd degree
PesticidesPesticides -> Fungicides
OdorUnpleasant odor.
Density · 5 件

1.2 (USCG, 1999) - Denser than water; will sink

1.209 G/CU CM AT 20 °C

Relative density (water = 1): 1.2

1.21

1.21

Color/Form · 2 件

LIQUID

Colorless liquid.

Solubility · 6 件

1 to 5 mg/mL at 72 °F (NTP, 1992)

Water solubility = 8000 mg/L

SOL IN GLYCOLS, OILS

SOL IN ETHANOL, ETHER; SL SOL IN CHLOROFORM

Solubility in water, g/100ml at 20 °C: 0.8

0.5%

Flash Point · 5 件

144 °F (NTP, 1992)

62 °C (144 °F) (OPEN CUP)

62 °C o.c.

144 °F (open cup)

(oc) 144 °F

Boiling Point · 5 件

286 to 289 °F at 760 mmHg (NTP, 1992)

142 °C

142 °C

289 °F

289 °F

DecompositionWHEN HEATED TO DECOMP...THEY EVOLVE HIGHLY TOXIC /HYDROGEN/ CHLORIDE FUMES. SOME ORGANIC CHLORIDES DECOMP TO YIELD PHOSGENE. /CHLORIDE/

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 · 6 件

Warning

H302: Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P271, P301+P317, P304+P340, P317, P330, and P501 (click each P-code to see the statement)

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P271, P301+P317, P304+P340, P317, P330, and P501 (click each P-code to see the statement)

危険有害性情報

Regulatory InformationThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
DOT LabelPoison
Fire Hazards · 2 件

Combustible: May produce toxic gases, including nitrogen oxides, hydrogen chloride, and carbon monoxide. Will attack some plastics, rubber, and coatings. (USCG, 1999)

Combustible. Gives off irritating or toxic fumes (or gases) in a fire. Above 62 °C explosive vapour/air mixtures may be formed.

Fire PotentialMODERATE, WHEN EXPOSED TO HEAT.
Health HazardsLIQUID: Irritating to skin and eyes. Harmful if swallowed. (USCG, 1999)
Hazards Summary · 1 件

1-Chloro-1-nitropropane causes pulmonary edema, liver injury, and death in animals exposed to high concentrations. A 6-hour inhalation exposure of 393 ppm killed one of two rabbits, but neither of two exposed guinea pigs died. TLV Basis is eye irritation, upper respiratory tract irritation and pulmonary edema; [ACGIH] A lachrymator; [HSDB]

Reactive GroupHalogenated Organic Compounds

化学と産業

用途と製造

Uses · 4 件

Has been used as a rubber cement additive; formerly used in the USA as a fungicide; [ACGIH]

Working with Glues and Adhesives [Category: Other]

RUBBER CEMENT ADDITIVE

Chloronitropropane /is a/ discontinued product of FMC Corp. ... /Formerly used as/ fungicide.

Use ClassificationFUNGICIDES
応用分野 · 3 件

用途農薬、医薬等の中間体、催涙ガス

使用Fungicide.

一般的な説明Colorless liquid. Unpleasant odor.

関連反応

0 件
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化合物ノート

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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
その他の操作
ノートを作成反応を作成見積依頼を出す
Vapor Density · 4 件

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

4.3 (AIR= 1)

Relative vapor density (air = 1): 4.3

4.26

Vapor Pressure · 6 件

5.8 mmHg at 77 °F (NTP, 1992)

5.8 [mmHg]

5.8 MM HG AT 25 °C

Vapor pressure, Pa at 25 °C: 773.1

6 mmHg

(77 °F): 6 mmHg

Refractive IndexINDEX OF REFRACTION: 1.4251 AT 20 °C/D

物理化学的性質

沸点
142 °C · 142°C (estimate)
比重(密度)
1.207 · 1.2070
蒸気圧
6 at · 6 at 25 °C (NIOSH, 1997)
屈折率
1.4251 · 1.4251 (estimate)
溶解性
アルコール、エーテル (Weast, 1986) および多くの低分子量炭化水素 (ペンタン、ヘキサン、ヘプタン)、およびクロロホルム、ジクロロメタン、トリクロロエチレンなどのハロゲン化炭化水素に可溶。
酸解離定数(Pka)
3.93 · 3.93±0.36(Predicted)
外見
無色の液体
色
不快な臭いのある無色透明の液体
水溶解度
20 °C · 20 °C で 6 mg/L (引用、Verschueren、1983)
Henry's Law Constant
0.157 atmm3/mol · 0.157 atmm3/mol at 20 °C (approximate - calculated from water solubility and vapor pressure)
EPAの化学物質情報
1 · 1-Chloro-1-nitropropane (600-25-9)

化学的性質

化学的特性Chloronitroproane is a flammable, colorless liquid with an unpleasant odor that causes tears (lachrymator).

EC Classification
Symbol: Xn; R: 20/22; S: (2)
UN ClassificationUN Hazard Class: 6.1; UN Pack Group: III
Reactivity AlertsExplosive
OSHA Standards · 2 件

Permissible Exposure Limit: Table Z-1 8-hr Time Weighted Avg: 20 ppm (100 mg/cu m).

Vacated 1989 OSHA PEL TWA 2 ppm (10 mg/cu m) is still enforced in some states.

Reactivity Profile · 1 件

1-CHLORO-1-NITROPROPANE is sensitive to heat (may be explosive). This chemical is incompatible with oxidizers. It will attack some forms of plastics, rubber and coatings (NTP, 1992). Combustible: May produce toxic gases, including nitrogen oxides, hydrogen chloride, and carbon monoxide. Will attack some plastics, rubber, and coatings (USCG, 1999).

安全と保護具

Fire Fighting · 2 件

Extinguish with dry chemicals, CO2, or alcohol foam. Use water spray to "knock down" vapors and cool exposed containers. (USCG, 1999)

Use water spray, powder, foam, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water. Combat fire from a sheltered position.

First Aid Measures · 4 件

Fresh air, rest. Half-upright position. Refer for medical attention.

Remove contaminated clothes. Rinse and then wash skin with water and soap.

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Do NOT induce vomiting. Refer for medical attention .

First Aid · 2 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.

(General first aid procedures)

Safe StorageSeparated from strong oxidants and acids.
Fire Fighting ProceduresALCOHOL FOAM, WATER, CARBON DIOXIDE, DRY CHEMICAL...
Cleanup Methods · 1 件

1) VENTILATE AREA OF SPILL OR LEAK. 2) FOR SMALL QUANTITIES, ABSORB ON PAPER TOWELS. EVAPORATE IN SAFE PLACE (SUCH AS FUME HOOD). ALLOW SUFFICIENT TIME FOR EVAPORATING VAPORS TO COMPLETELY CLEAR HOOD OR DUCTWORK. BURN PAPER IN SUITABLE LOCATION AWAY FROM COMBUSTIBLE MATERIALS. LARGE QUANTITIES CAN BE COLLECTED & ATOMIZED IN SUITABLE COMBUSTION CHAMBER EQUIPPED WITH APPROPRIATE EFFLUENT GAS CLEANING DEVICE. 3) MIX SPILL OF UP TO 1 GALLON WITH SODA ASH, SPRAY WITH WATER, LET STAND IN BUCKET WITH WATER FOR 2 HR, NEUTRALIZE WITH DIL HYDROCHLORIC ACID, FLUSH TO SEWER & WASH AREA OF SPILL WITH DETERGENT & SOLN.

Nonfire Spill ResponseKeep people away; shut off ignition sources; call fire department; notify local health and pollution control agencies; protect water intakes. (USCG, 1999)
Disposal Methods · 2 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.

1) BY ABSORBING...IN VERMICULITE, DRY SAND, EARTH OR SIMILAR MATERIAL & DISPOSING IN SECURED SANITARY LANDFILL. 2) BY ATOMIZING IN SUITABLE COMBUSTION CHAMBER EQUIPPED WITH APPROPRIATE EFFLUENT GAS CLEANING DEVICE.

Spillage Disposal · 1 件

Personal protection: chemical protection suit including self-contained breathing apparatus. Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations.

Preventive Measures · 4 件

SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.

Most important methods of technical control to prevent hazards are general or local exhaust ventilation. General ventilation entails dilution of contaminated air with fresh air by fans or blowers in the working environment. ... The working room concentration should be maintained below the exposure limits by using both of these methods. If it is not possible to reduce excessive amounts of contaminants in the air by only the ventilation methods, enclosure of a process or segregation of personnel is recommended. /Chlorinated nitroparaffins/

The worker should immediately wash the skin when it becomes contaminated.

Work clothing that becomes wet or significantly contaminated should be removed and replaced.

Isolation and EvacuationExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Eye PreventionWear safety goggles or eye protection in combination with breathing protection.

毒性情報

Target Organsrespiratory system, liver, kidneys, cardiovascular system, eyes
Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
Exposure Routes · 2 件

The substance can be absorbed into the body by inhalation and by ingestion.

inhalation, ingestion, skin and/or eye contact

Signs and Symptoms · 4 件

Wheezing. Burning sensation. Cough. Shortness of breath.

Redness. Pain.

See Inhalation.

In Animals: irritation eyes; pulmonary edema; liver, kidney, heart damage

Acute Toxicity LinkChemical: CHLORONITROPROPANE
Medical Surveillance · 1 件

Preplacement examinations including chest X-rays of personnel should be performed in order to discover individuals with pre-existing pulmonary disease or those highly susceptible to skin irritation. Employment should be restricted to persons free of a history of pulmonary disease. Workers repeatedly exposed to low concentrations of chlorinated nitroparaffins should have periodic medical examinations, including lung function test, although the effect of repeated small doses has not been determined. /Chlorinated nitroparaffins/

Human Toxicity Excerpts · 2 件

SEVERE PULMONARY EDEMA AFTER INHALATION OF VAPOR OR INGESTION OF LIQUID. NO SYSTEMIC EFFECTS FROM SKIN APPLICATION AND NO SIGNIFICANT SKIN IRRITATION.

CHEMICAL IS LACHRYMATORY (A TEAR GAS).

Non-Human Toxicity Excerpts · 3 件

1,1-DICHLORONITROETHANE IS...MORE IRRITATING TO SKIN & MUCOUS MEMBRANES THAN 1-CHLORO-1-NITROPROPANE. ... THEY CAUSE PULMONARY EDEMA & DEATH WITHIN 24 HR FOLLOWING EXPOSURE TO HIGH CONCN. CHIEF SITE OF INJURY IS LUNGS, BUT DAMAGE IS...OBSERVED IN HEART MUSCLE, LIVER & KIDNEYS AFTER LETHAL EXPOSURES /IN RABBITS & GUINEA PIGS/.

FOLLOWING ORAL ADMIN SOME.../RABBITS/ LOST WEIGHT BUT RECOVERED... APPLICATION TO SKIN CAUSED NO...MARKED REACTIONS... /AFTER ORAL ADMIN, RABBITS/...HEART SHOWED EDEMA AND...NECROSIS OF MYOCARDIAL FIBERS...LIVER /SHOWED/ GENERALIZED EDEMA, CONGESTION, CLOUDY SWELLING...CENTRAL FATTY DEGENERATION AND NECROSIS.../IN/ KIDNEYS... THE TUBULES.../SHOWED/ CLOUDY SWELLING, FATTY DEGENERATION AND COAGULATION NECROSIS... /FOLLOWING INHALATION/, PULMONARY EDEMA AND CONGESTION WITH SCATTERED AREAS OF EMPHYSEMA, ATELECTASIS AND POLYMORPHONUCLEAR INFILTRATION OF SEPTA /WERE SEEN/.

Of the four chloronitropropanes, the 1,1-derivative is the most acutely toxic when tested in rabbits; a 6-hour inhalation exposure at 393 ppm killed one of two rabbits, but neither of two exposed guinea pigs died. At an average concentration of 2574 ppm, two exposed rabbits died; neither of two guinea pigs died. Effects included irritation of the eyes and mucous membranes. Autopsy revealed pulmonary edema and cellular necrosis of the heart, liver, and kidneys.

Toxicity DataLCLo (rabbits) = 2,000 mg/m3/6h
Non-Human Toxicity ValuesLD50 Rabbit oral between 50 and 100 mg/kg

安全データ

OEB
B
OEL
TWA: 2 ppm (10 mg/m3)
IDLA
100 ppm
ridadr
2810
毒性
Acute oral LD50 for mice 510 mg/kg (quoted, RTECS, 1985).
risk_code
20/22
hazard_code
Xn
hazard_class
6.1(b)
packing_group
III
有毒物質データの
600-25-9(Hazardous Substances Data)