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2-クロロ-6-(トリクロロメチル)ピリジン

Nitrapyrin

HCID 16004
ノート反応
基本情報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
部分構造検索類似構造を探す

基本情報

CAS
1929-82-4
標準SMILES
Clc1cccc(C(Cl)(Cl)Cl)n1
InChIKey
DCUJJWWUNKIJPH-UHFFFAOYSA-N
分子式
C6H3Cl4N
平均分子量
230.9 g/mol
単同位体質量
228.90196

名称と識別子

優先名称
Nitrapyrin
IUPAC
2-chloro-6-(trichloromethyl)pyridine
現地名
2-クロロ-6-(トリクロロメチル)ピリジン
英語名
Nitrapyrin
分子式
C6H3Cl4N
分子量
230.91

名称と別名

NITRAPYRIN2-Chloro-6-(trichloromethyl)pyridine1929-82-4N-ServeDowco-163N-Serve nitrogen stabilizerPyridine, 2-chloro-6-(trichloromethyl)-NitrapyrineDTXSID00242168PCE86U01Walpha,alpha,alpha,6-tetrachloro-2-picolineDTXCID504216
名称をさらに表示
N-サーブ2-クロロ-6-(トリクロロメチル)ピリジンN-サーブ窒素スタビライザクロロトリクロロメチルピリジンニトラピリンニトラピリン標準品2-クロロ-6-トリクロロメチルピリジン2‐クロロ‐6‐トリクロロメチルピリジン (別名 ニトラピリン)CS_N-12659-100MG_ニトラピリンニトラピリン STANDARDニトラピリン Standard, 100 µg/mL in MeOH2-クロロ-6-トリクロロメチルピリジン【ニトラピリン】2-Chloro-6-trichloromethyl2-chloro-6-(trichloromethyl)NITRADYRINN-SERVE(R)oro-6-(trichLNitrapyrin 0.1
CHEBI:81935RefChem:166050217-682-22-chloro-6-trichloromethylpyridineCaswell No. 2176-chloro-2-(trichloromethyl)pyridineNitrapyrine [ISO-French]Nitrapyrin [ISO]

データベース識別子

CAS
1929-82-4
PubChem CID
16004
DTXSID
DTXSID0024216
ChEMBL
CHEMBL1557091
ChEBI
CHEBI:81935
UNII
8PCE86U01W
EC Number
217-682-2
Nikkaji
J1.789B

物性

構造計算による物性

XLogP
3.4
極性表面積
12.9 Ų
水素結合供与体数
0
水素結合受容体数
1
回転可能結合数
0
重原子数
11
形式電荷
0
複雑度
133

実験および物理化学的性質

LogP3.4
DensityRelative density of the vapour/air-mixture at 20 °C (air = 1): 1.0
Solubility · 3 件

less than 0.1 mg/mL at 64 °F (NTP, 1992)

Solubility in water: none

Insoluble

Flash Point100 °C c.c.
Boiling Point · 3 件

277 to 280 °F at 11 mmHg (NTP, 1992)

at 1.5kPa: 136 °C

277 to 280 °F at 11 mmHg

Melting Point · 4 件

144.5 to 145.2 °F (NTP, 1992)

63 °C

145 °F

145 °F

Vapor Pressure · 6 件

0.0028 mmHg at 73 °F (NTP, 1992)

0.0048 [mmHg]

Vapor pressure, Pa at 23 °C:

0.003 mmHg at 73 °F

0.003 [mm Hg] @22.5 °C

(73 °F): 0.003 mmHg

Physical Description · 6 件

Nitrapyrin appears as colorless crystals or off-white crystalline solid. (NTP, 1992)

Liquid

Colorless or white, crystalline solid with a mild, sweet odor; [NIOSH]

COLOURLESS-TO-WHITE CRYSTALS WITH CHARACTERISTIC ODOUR.

Colorless or white, crystalline solid with a mild, sweet odor.

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];H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)

Warning

危険有害性情報

Regulatory Information · 6 件

Chemical: Pyridine, 2-chloro-6-(trichloromethyl)-;Specific Information Requirement: Obligations to provide information apply. These obligations are:;1. A person introducing this chemical must tell us in writing within 28 calendar days if any of the following circumstances have occurred in relation to their introduction (importation or manufacture):;a. residues of the chemical are detected in food producing crops;;b. products containing the chemical are intended to be used by members of the public;;c. products containing the chemical are intended to be used in domestic settings;;d. the chemical is imported in solid form;;e. additional information becomes available that suggests residues of the chemical and/or its metabolites are detected in crops treated with the chemical as microcapsules;;f. products containing the chemical are intended to be applied by equipment other than low ground boom.;2. A person who introduces this chemical must tell us in writing within 28 calendar days if they become aware of any of the following circumstances, namely, that since the assessment under the Industrial Chemicals (Notification and Assessment) Act 1989:;a. the function or use of the chemical has changed, or is likely to change, significantly;;b. the amount of the chemical being introduced has increased, or is likely to increase, significantly;;c. in the case of a chemical not manufactured, or proposed to be manufactured, in Australia at the time of the assessment—it has begun to be manufactured in Australia;;d. the method of manufacture of the chemical in Australia has changed, or is likely to change, in a way that may result in an increased risk of an adverse effect of the chemical on occupational health and safety, public health or the environment;;e. additional information has become available to the person as to an adverse effect of the chemical on occupational health and safety, public health or the environment.

化学と産業

用途と製造

Uses · 2 件

Used as a fertilizer additive to improve nitrogen in soil; [Merck Index, # 6574]

Nitrapyrin (trade name N-Serve) is used as an agricultural chemical. Nitrapyrin is currently registered by the U.S. Environmental Protection Agency (EPA) as a nitrification inhibitor to slow and reduce the loss of nitrogen from soil when used together with urea and other ammoniacal (ammonia containing) fertilizers.

U.S. Production2023: 1,000,000 - <5,000,000 lb;2022: 1,000,000 - <5,000,000 lb;2021: 1,000,000 - <5,000,000 lb;2020: 1,000,000 - <5,000,000 lb
Industry UsesIntermediate
Use ClassificationNITROGEN STABILIZERS
General Manufacturing Information · 2 件

Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing

Pyridine, 2-chloro-6-(trichloromethyl)-: ACTIVE

応用分野 · 4 件

用途ニトラピリン試験用標準品。

用途農薬、抗菌剤、硝化阻害剤

使用Fertilizer additive to control nitrification and prevent loss of soil nitrogen.

一般的な説明Colorless crystals or off-white crystalline solid.

上流・下流製品情報

上流原料

2-ピコリン塩素水和物

サプライヤー100 社

関連反応

12 件
反応記録を作成
HRID 287847 の反応式
HRID 287847反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 429984 の反応式
HRID 429984反応物としてuspto-grants-2001_11
HRID 429985 の反応式
HRID 429985反応物としてuspto-grants-2001_11
HRID 429986 の反応式
HRID 429986反応物としてuspto-grants-2001_11
HRID 443553 の反応式
HRID 443553反応物としてuspto-grants-1981_04
HRID 443554 の反応式
HRID 443554反応物としてuspto-grants-1981_04
HRID 615435 の反応式
HRID 615435反応物としてuspto-grants-1985_02
HRID 615436 の反応式
HRID 615436反応物としてuspto-grants-1985_02
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化合物ノート

読み込み中…

このページの内容基本情報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

Colorless or white, crystalline solid with a mild, sweet odor.

Kovats Retention Index1463.6

物理化学的性質

融点
62 · 62-63°C
沸点
136 · 136-138°C
比重(密度)
1.8732 · 1.8732 (rough estimate)
蒸気圧
2.8 x · 2.8 x 10-3 mmHg at 20 °C (quoted, Verschueren, 1983)
屈折率
1.6 · 1.6000 (estimate)
闪点
100 °C · 100 °C
貯蔵温度
Keep in dark place,Sealed in dry,Room Temperature
溶解性
10 mg/ml · 10 mg/ml エタノールに可溶。
外見
粉
酸解離定数(Pka)
-3.75 · -3.75±0.10(Predicted)
色
白い
比重
1.579 · 1.579 (25℃)
水溶解度
0.01 g/100 · 不溶性。 <0.01 g/100 mL で 18 ºC
Merck
14 · 14,6574
BRN
1618997 · 1618997
Henry's Law Constant
2.13 x · 2.13 x 10-3 atmm3/mol (approximate - calculated from water solubility and vapor pressure)
主な用途
農業環境
InChI
1S/C6H3Cl4N/c7-5-3-1-2-4(11-5)6(8,9)10/h1-3H
InChIKey
DCUJJWWUNKIJPH-UHFFFAOYSA-N
SMILES
Clc1cccc(n1)C(Cl)(Cl)Cl
LogP
3.325 · 3.325-3.41 at 23.5℃
CAS データベース
1929 · 1929-82-4(CAS DataBase Reference)
NISTの化学物質情報
2 · Pyridine, 2-chloro-6-(trichloromethyl)-(1929-82-4)
EPAの化学物質情報
Nitrapyrin (1929-82-4)

化学的性質

化学的特性Crystals.

Hazard Traits - Carcinogenicity; Developmental Toxicity;Authoritative List - Prop 65;Report - regardless of intended function of ingredient in the product

Pyridine, 2-chloro-6-(trichloromethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Pyridine, 2-chloro-6-(trichloromethyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Nitrapyrin is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)

Status: Active Update: 27-07-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/23362;Status: Active Update: 18-07-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20030

Nitrapyrin: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

DOT LabelPoison
Fire Hazards · 2 件

Flash point data for this compound are not available. It is probably combustible. (NTP, 1992)

Combustible. Gives off irritating or toxic fumes (or gases) in a fire.

Health Hazards · 1 件

Excerpt from NIOSH Pocket Guide for 2-Chloro-6-trichloromethyl pyridine:;Exposure Routes: Inhalation, skin absorption, ingestion, skin and/or eye contact;Symptoms: No adverse effects noted in ingestion studies with animals.;Target Organs: Eyes, skin (NIOSH, 2024)

Hazards Summary · 1 件

Nitrapyrin has a low order of toxicity in dogs and rodents. No case reports of human occupational or other poisoning or controlled or epidemiologic studies were available for review to establish the TLV. [ACGIH] An eye, nose, and throat irritant; [NJ-HSFS] See Pyridine.

Reactive GroupAmines, Phosphines, and Pyridines;Halogenated Organic Compounds;Aryl Halides
EC ClassificationSymbol: Xn, N; R: 22-51/53; S: (2)-24-61
UN ClassificationUN Hazard Class: 9; UN Pack Group: III
Reactivity ProfileNITRAPYRIN is a base. Reacts exothermically with acids.
Chemical DangersDecomposes on heating. This produces toxic fumes including chlorine and nitrogen oxides. Reacts with aluminium and magnesium.
Flammable LimitsCombustible Solid [Explosive]
Air and Water ReactionsInsoluble in water.

安全と保護具

Fire Fighting · 2 件

Fires involving this compound should be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)

Use water spray, dry powder, carbon dioxide, foam.

First Aid Measures · 4 件

Fresh air, rest.

Remove contaminated clothes. Rinse and then wash skin with water and soap. Refer for medical attention .

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

Rinse mouth. 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.;SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment.;INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing.;INGESTION: DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)

(General first aid procedures);Eye: Irrigate immediately - If this chemical contacts the eyes, immediately wash (irrigate) the eyes with large amounts of water, occasionally lifting the lower and upper lids. Get medical attention immediately.;Skin: Soap wash immediately - If this chemical contacts the skin, immediately wash the contaminated skin with soap and water. If this chemical penetrates the clothing, immediately remove the clothing, wash the skin with soap and water, and get medical attention promptly.;Breathing: Respiratory support;Swallow: Medical attention immediately - If this chemical has been swallowed, get medical attention immediately.

Safe StorageProvision to contain effluent from fire extinguishing. Separated from aluminium and magnesium. Store in an area without drain or sewer access.
Nonfire Spill Response · 1 件

SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 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.;STORAGE PRECAUTIONS: You should store this material in a refrigerator. (NTP, 1992)

Spillage Disposal · 1 件

Personal protection: particulate filter respirator adapted to the airborne concentration of the substance. Sweep spilled substance into covered plastic containers. If appropriate, moisten first to prevent dusting. Do NOT let this chemical enter the environment.

Isolation and Evacuation · 1 件

Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:;IMMEDIATE PRECAUTIONARY MEASURE: Isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids.;SPILL: Increase the immediate precautionary measure distance, in the downwind direction, as necessary.;FIRE: If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2024)

Eye PreventionWear safety spectacles.
Fire PreventionNO open flames.
Inhalation RiskA harmful contamination of the air will not or will only very slowly be reached on evaporation of this substance at 20 °C.
Skin PreventionProtective gloves. Protective clothing.
Exposure PreventionPREVENT DISPERSION OF DUST!

毒性情報

Target OrgansEyes, skin
Adverse EffectsACGIH Carcinogen - Not Classifiable.
Exposure Routes · 2 件

The substance can be absorbed into the body in hazardous amounts through the skin and by ingestion. The substance can be absorbed into the body by inhalation.

inhalation, skin absorption, ingestion, skin and/or eye contact

Signs and Symptoms · 3 件

Cough.

Redness.

No adverse effects noted in ingestion studies with animals.

Acute Toxicity LinkChemical: NITRAPYRIN
ICSC Environmental DataThe substance is toxic to aquatic organisms. This substance does enter the environment under normal use. Great care, however, should be taken to avoid any additional release, for example through inappropriate disposal.
EPA IRIS InformationNitrapyrin
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
RAIS Toxicity Values · 4 件

0.16

OPP

0.03

OPP

EPA Human Health Benchmarks for Pesticides · 6 件

Nitrapyrin

0.16

1100

Children

0.03

200

法規制情報

Regulatory Information · 6 件

Chemical: Pyridine, 2-chloro-6-(trichloromethyl)-;Specific Information Requirement: Obligations to provide information apply. These obligations are:;1. A person introducing this chemical must tell us in writing within 28 calendar days if any of the following circumstances have occurred in relation to their introduction (importation or manufacture):;a. residues of the chemical are detected in food producing crops;;b. products containing the chemical are intended to be used by members of the public;;c. products containing the chemical are intended to be used in domestic settings;;d. the chemical is imported in solid form;;e. additional information becomes available that suggests residues of the chemical and/or its metabolites are detected in crops treated with the chemical as microcapsules;;f. products containing the chemical are intended to be applied by equipment other than low ground boom.;2. A person who introduces this chemical must tell us in writing within 28 calendar days if they become aware of any of the following circumstances, namely, that since the assessment under the Industrial Chemicals (Notification and Assessment) Act 1989:;a. the function or use of the chemical has changed, or is likely to change, significantly;;b. the amount of the chemical being introduced has increased, or is likely to increase, significantly;;c. in the case of a chemical not manufactured, or proposed to be manufactured, in Australia at the time of the assessment—it has begun to be manufactured in Australia;;d. the method of manufacture of the chemical in Australia has changed, or is likely to change, in a way that may result in an increased risk of an adverse effect of the chemical on occupational health and safety, public health or the environment;;e. additional information has become available to the person as to an adverse effect of the chemical on occupational health and safety, public health or the environment.

Hazard Traits - Carcinogenicity; Developmental Toxicity;Authoritative List - Prop 65;Report - regardless of intended function of ingredient in the product

Pyridine, 2-chloro-6-(trichloromethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Pyridine, 2-chloro-6-(trichloromethyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Nitrapyrin is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)

Status: Active Update: 27-07-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/23362;Status: Active Update: 18-07-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20030

Nitrapyrin: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

安全データ

OEB
B
OEL
TWA: 10 mg/m3 (total), STEL: 20 mg/m3 (total)
wgk
2
tsca
TSCA listed
rtecs
US7525000
ridadr
UN 2811
毒性
LC50 for channel catfish 5.8 mg/L (Worthing and Hance, 1991); acute oral LD50 for rats 1,230 mg/kg (Verschueren, 1983), 940 mg/kg (RTECS, 1985).
hs_code
29333990
risk_code
22-51/53-36/37/38
安衛法
57,57-2
hazard_code
Xn;N,Xi,N,Xn
safety_code
24-61-37/39-26
hazard_class
6.1(b)
packing_group
III
Hazard Classifications
Acute Tox. 3 DermalAcute Tox. 4 OralAquatic Chronic 2
ストレージクラス
6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
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