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2-클로로-6-(트리클로로메틸)피리딘

Nitrapyrin

HCID 16004
노트반응
기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
1929-82-4
표준 SMILES
Clc1cccc(C(Cl)(Cl)Cl)n1
InChIKey
DCUJJWWUNKIJPH-UHFFFAOYSA-N
분자식
C6H3Cl4N
평균 분자량
230.9 g/mol
단동위원소 질량
228.90196

이름 및 식별자

우선 이름
Nitrapyrin
IUPAC
2-chloro-6-(trichloromethyl)pyridine
현지명
2-클로로-6-(트리클로로메틸)피리딘
영어명
Nitrapyrin
분자식
C6H3Cl4N
분자량
230.91

이름 및 동의어

NITRAPYRIN2-Chloro-6-(trichloromethyl)pyridine1929-82-4N-ServeDowco-163N-Serve nitrogen stabilizerPyridine, 2-chloro-6-(trichloromethyl)-NitrapyrineDTXSID00242168PCE86U01Walpha,alpha,alpha,6-tetrachloro-2-picolineDTXCID504216
이름 더 보기
나이트라파이린2-클로로-6-(트리클로로메틸)피리딘니트라피린2-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]

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
3.4
극성 표면적
12.9 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
1
회전 가능 결합 수
0
무거운 원자 수
11
형식 전하
0
복잡도
133

실험 및 물리화학적 성질

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

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

Solubility in water: none

Insoluble

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

277 to 280 °F at 11 mmHg (NTP, 1992)

at 1.5kPa: 136 °C

277 to 280 °F at 11 mmHg

Melting Point · 4건

144.5 to 145.2 °F (NTP, 1992)

63 °C

145 °F

145 °F

Vapor Pressure · 6건

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 · 6건

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.

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 6건

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

유해성 정보

Regulatory Information · 6건

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.

화학 및 산업

용도 및 제조

Uses · 2건

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 · 2건

Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing

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

응용 분야

용도Fertilizer additive to control nitrification and prevent loss of soil nitrogen.

일반 설명Colorless crystals or off-white crystalline solid.

상·하류 제품 정보

상류 원료

α-피콜린염소(기체)물

공급사100 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

관련 반응

12건
반응 기록 만들기
HRID 287847 반응식
HRID 287847반응물로Training data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 429984 반응식
HRID 429984반응물로uspto-grants-2001_11
HRID 429985 반응식
HRID 429985반응물로uspto-grants-2001_11
HRID 429986 반응식
HRID 429986반응물로uspto-grants-2001_11
HRID 443553 반응식
HRID 443553반응물로uspto-grants-1981_04
HRID 443554 반응식
HRID 443554반응물로uspto-grants-1981_04
HRID 615435 반응식
HRID 615435반응물로uspto-grants-1985_02
HRID 615436 반응식
HRID 615436반응물로uspto-grants-1985_02
1 / 2 페이지

화합물 노트

불러오는 중…

이 페이지에서기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트

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

Kovats Retention Index1463.6

물리화학적 성질

녹는점
62 · 62-63°C
끓는 점
136 · 136-138°C
밀도
1.8732 · 1.8732 (rough estimate)
증기압
2.8 x · 2.8 x 10-3 mmHg at 20 °C (quoted, Verschueren, 1983)
굴절률
1.6 · 1.6000 (estimate)
인화점
100 °C · 100 °C
저장 조건
Keep in dark place,Sealed in dry,Room Temperature
용해도
10 mg/ml · 10 mg/ml 에탄올에 용해됩니다.
물리적 상태
가루
산도 계수 (pKa)
-3.75 · -3.75±0.10(Predicted)
색상
하얀색
Specific Gravity
1.579 · 1.579 (25℃)
수용성
18 °C에서 · 불용성. 18°C에서 <0.01g/100mL
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)
주요 응용
농업환경
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℃
NIST
2 · Pyridine, 2-chloro-6-(trichloromethyl)-(1929-82-4)
EPA
Nitrapyrin (1929-82-4)

화학적 성질

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 · 2건

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 · 1건

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 · 1건

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.

안전 및 보호

Fire Fighting · 2건

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 · 4건

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 · 2건

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 · 1건

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 · 1건

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 · 1건

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!

독성 정보

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

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 · 3건

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 · 4건

0.16

OPP

0.03

OPP

EPA Human Health Benchmarks for Pesticides · 6건

Nitrapyrin

0.16

1100

Children

0.03

200

규제 정보

Regulatory Information · 6건

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.

안전 데이터

OEB
B
OEL
TWA: 10 mg/m3 (total), STEL: 20 mg/m3 (total)
wgk
2
tsca
TSCA listed
rtecs
US7525000
ridadr
UN 2811
독성
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 번호
29333990
risk_code
22-51/53-36/37/38
hazard_code
Xn;N,Xi,N,Xn
safety_code
24-61-37/39-26
포장분류
III
위험 등급
6.1(b)
기존화학 물질
KE-05-0915
Hazard Classifications
Acute Tox. 3 DermalAcute Tox. 4 OralAquatic Chronic 2
스토리지 클래스
6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
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